SCHEMBL29759657

SCHEMBL29759657

Cc1ncc(NC(=O)CNCC2CC2)cc1NC(=O)c1cnn2cc(Br)sc12

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 5/20 0.35
▸ GSK3A P49840 1/20 0.33
▸ CSF1R P07333 1/20 0.32
▸ KIT P10721 1/20 0.32
▸ CRHR1 P34998 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ PDGFRA P16234 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ IRAK4 Q9NWZ3 7/20 0.31
▸ IRAK1 P51617 2/20 0.31
▸ KCNH2 Q12809 1/20 0.31

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
SCHEMBL24579053 1.00 KDM1A (0.35) KDM1AGSK3ACSF1RKITCRHR1
SCHEMBL27185269 0.88 ALDH1A1 (0.34) KDM1ACSF1RKITCHRM1PDGFRA
SCHEMBL27185086 0.88 MEN1 (0.36) CHRM1PDGFRAHRH3NPC1GAA
SCHEMBL29759664 0.88 MEN1 (0.36) CHRM1PDGFRAHRH3NPC1GAA
SCHEMBL29759822 0.88 ALDH1A1 (0.34) KDM1ACSF1RKITCHRM1PDGFRA
SCHEMBL29759704 0.88 MAPK14 (0.34) CSF1RKITCHRM1PDGFRAHRH3
SCHEMBL27185248 0.88 MAPK14 (0.34) CSF1RKITCHRM1PDGFRAHRH3
SCHEMBL29759753 0.87 IRAK4 (0.31) CSF1RKITCHRM1PDGFRAHRH3
SCHEMBL24577737 0.85 ALDH1A1 (0.38) CSF1RKITCHRM1PDGFRAHRH3
SCHEMBL29759568 0.85 ALDH1A1 (0.38) CSF1RKITCHRM1PDGFRAHRH3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4267585-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS Actelion Pharmaceuticals Ltd (CH) 2023-11-01 — — EP disclosed
CN-116802184-A Pyrazolothiazole carboxamides and their use as PDGFR inhibitors 埃科特莱茵药品有限公司 2023-09-22 — — CN disclosed
WO-2022136509-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2022-06-30 — — WO disclosed
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