SCHEMBL6028990

SCHEMBL6028990

NC(=S)c1nc2ccccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.59
▸ JAK2 O60674 1/20 0.59
▸ ABL1 P00519 1/20 0.59
▸ NTRK1 P04629 1/20 0.59
▸ LCK P06239 1/20 0.59
▸ FYN P06241 1/20 0.59
▸ CSF1R P07333 1/20 0.59
▸ RET P07949 1/20 0.59
▸ IGF1R P08069 1/20 0.59
▸ MET P08581 1/20 0.59
▸ PDGFRB P09619 1/20 0.59
▸ PIM1 P11309 1/20 0.59
▸ FGFR1 P11362 1/20 0.59
▸ PRKACA P17612 1/20 0.59
▸ KDR P35968 1/20 0.59
▸ MAP2K2 P36507 1/20 0.59
▸ CDK8 P49336 1/20 0.59
▸ GSK3A P49840 1/20 0.59
▸ GSK3B P49841 1/20 0.59
▸ CDK7 P50613 1/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL34472005 1.00 AURKA (0.59) AURKAJAK2ABL1NTRK1LCK
SCHEMBL250112 0.84 AURKA (0.63) AURKAJAK2ABL1NTRK1LCK
SCHEMBL4770511 0.82 AURKA (0.61) AURKAJAK2ABL1NTRK1LCK
SCHEMBL30075113 0.82 AURKA (0.61) AURKAJAK2ABL1NTRK1LCK
SCHEMBL31232794 0.81 PIM1 (0.59) AURKAJAK2ABL1NTRK1LCK
SCHEMBL5469161 0.81 PIM1 (0.59) AURKAJAK2ABL1NTRK1LCK
SCHEMBL29688264 0.81 AURKA (0.59) AURKAJAK2ABL1NTRK1LCK
SCHEMBL7406207 0.81 AURKA (0.59) AURKAJAK2ABL1NTRK1LCK
SCHEMBL828618 0.81 AURKA (0.59) AURKAJAK2ABL1NTRK1LCK
SCHEMBL10608668 0.81 AURKA (0.59) AURKAJAK2ABL1NTRK1LCK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0517476-B1 Benzimidazole derivatives, a method for producing the same, agricultural and horticultural fungicides containing the same as an active ingredient and intermediate compounds thereof SUMITOMO CHEMICAL CO (JP) 1997-10-08 — — EP claimed
EP-0517476-A2 Benzimidazole derivatives, a method for producing the same, agricultural and horticultural fungicides containing the same as an active ingredient and intermediate compounds thereof SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1992-12-09 — — EP claimed
CN-106905241-B 1, 2-disubstituted benzimidazole derivative and application thereof 沈阳药科大学 2020-03-17 — — CN disclosed
CN-107118249-B 18 beta-glycyrrhetinic acid derivative and application thereof 沈阳药科大学 2019-12-20 — — CN disclosed
EP-1709040-A2 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS AS INHIBITORS OF SRC FAMILY PROTEIN KINASE Sirenade Pharmaceuticals AG (DE) 2006-10-11 — — EP disclosed
WO-2005068458-A2 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS AS INHIBITORS OF SRC FAMILY PROTEIN KINASE SIRENADE PHARMACEUTICALS AG (DE) 2005-07-28 — — WO disclosed
US-5958950-A CARDIOVASCULAR DISORDERS WARNER-LAMBERT COMPANY (US) 1999-09-28 — — US disclosed
WO-1997012615-A1 BENZIMIDAZOLE DERIVATIVES AS 15-LO INHIBITORS WARNER-LAMBERT COMPANY (US) 1997-04-10 — — WO disclosed
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