SCHEMBL31011570

SCHEMBL31011570

COc1cnccc1-c1ccnc(Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 2/20 0.45
▸ ATR Q13535 1/20 0.41
▸ DYRK1A Q13627 1/20 0.39
▸ CDK2 P24941 5/20 0.39
▸ CCNT1 O60563 4/20 0.39
▸ CDK9 P50750 4/20 0.39
▸ CCNA2 P20248 3/20 0.39
▸ CCNA1 P78396 3/20 0.39
▸ CDK5 Q00535 3/20 0.39
▸ CDK5R1 Q15078 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ SCN9A Q15858 1/20 0.37
▸ PDE10A Q9Y233 2/20 0.36
▸ MAOA P21397 2/20 0.36
▸ CYP17A1 P05093 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ PDE2A O00408 1/20 0.36
▸ PDE4A P27815 1/20 0.36

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
SCHEMBL3600353 1.00 IDH1 (0.45) IDH1ATRDYRK1ACDK2CCNT1
SCHEMBL31505996 0.81 HSP90AA1 (0.51) IDH1CCNT1CDK9CDK5KDM4E
SCHEMBL2983938 0.81 HSP90AA1 (0.51) IDH1CCNT1CDK9CDK5KDM4E
SCHEMBL30450157 0.77 CYP1A1 (0.52) CCNT1CDK9KDM4ESMN1; SMN2CYP1A2
SCHEMBL444455 0.77 CYP1A1 (0.52) CCNT1CDK9KDM4ESMN1; SMN2CYP1A2
SCHEMBL21384169 0.76 IDH1 (0.41) IDH1ATRDYRK1ACDK2CCNT1
SCHEMBL30592000 0.76 IDH1 (0.41) IDH1ATRDYRK1ACDK2CCNT1
SCHEMBL31011585 0.76 CCNT1 (0.40) IDH1DYRK1ACDK2CCNT1CDK9
SCHEMBL31011609 0.76 HSP90AA1 (0.45) DYRK1ACDK2CCNT1CDK9CCNA2
SCHEMBL31011620 0.76 HSP90AA1 (0.45) DYRK1ACDK2CCNT1CDK9CCNA2

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-4661966-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF Type6 Therapeutics, Inc. (US) 2025-12-17 — — EP disclosed
WO-2024167848-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF TYPE6 THERAPEUTICS, INC. (US) 2024-08-15 — — WO disclosed
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