SCHEMBL11116625

SCHEMBL11116625

NC(=O)Sc1csc(-c2ccncc2)n1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 5/20 0.49
▸ DBF4 Q9UBU7 5/20 0.49
▸ HPGD P15428 1/20 0.48
▸ CCNE1 P24864 2/20 0.46
▸ CDK2 P24941 2/20 0.46
▸ CYP19A1 P11511 2/20 0.43
▸ LMNA P02545 3/20 0.43
▸ CDK5 Q00535 2/20 0.43
▸ CDK5R1 Q15078 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KDM4E B2RXH2 5/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ AR P10275 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ RAB9A P51151 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ TBK1 Q9UHD2 1/20 0.40

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
SCHEMBL11117554 0.75 CDC7 (0.50) CDC7DBF4CCNE1CDK2MAPT
SCHEMBL6202834 0.75 HPGD (0.64) CDC7DBF4HPGDCCNE1CDK2
SCHEMBL5689927 0.71 CDK5 (0.63) CDC7DBF4HPGDCCNE1CDK2
SCHEMBL5901574 0.71 KDM4E (0.55) CDC7DBF4HPGDCYP19A1LMNA
SCHEMBL11114995 0.71 CDC7 (0.48) CDC7DBF4HPGDCCNE1CDK2
SCHEMBL7842653 0.70 RAB9A (0.37) LMNAKDM4EKMT2ARAB9ASMN1; SMN2
SCHEMBL27768683 0.70 HPGD (0.68) HPGDCYP19A1LMNACDK5CDK5R1
SCHEMBL11119189 0.70 CDC7 (0.47) CDC7DBF4HPGDCCNE1CDK2
SCHEMBL657641 0.69 ALDH1A1 (0.70) HPGDLMNAMAPTKDM4EKMT2A
SCHEMBL1468214 0.68 LOXL2 (0.33) LMNAMEN1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0097323-A2 2-(4-Pyridyl)-thiazole derivatives SCHERING CORPORATION (US) 1984-01-04 — — EP claimed
EP-0097323-A2 2-(4-Pyridyl)-thiazole derivatives SCHERING CORPORATION (US) 1984-01-04 — — EP disclosed
Send feedback