SCHEMBL30835147

SCHEMBL30835147

COc1ccc(CNc2nc(Cl)c(F)c3nc(SC)nc(Cl)c23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
ABL1 P00519 1/20 0.42
SRC P12931 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA13 Q8N1Q1 2/20 0.41
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
PPARG P37231 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
SCHEMBL26709323 0.91 ABL1 (0.40) CCNE2CCNE1CDK2ABL1SRC
SCHEMBL30835154 0.91 ABL1 (0.40) CCNE2CCNE1CDK2ABL1SRC
SCHEMBL28561177 0.73 PPARG (0.59) CCNE2CCNE1CDK2ABL1SRC
SCHEMBL31278716 0.72 NPC1 (0.41) CCNE2CCNE1CDK2ABL1SRC
SCHEMBL31279002 0.72 NPC1 (0.41) CCNE2CCNE1CDK2ABL1SRC
SCHEMBL25247825 0.70 L3MBTL1 (0.36) L3MBTL1MEN1ALDH1A1MAPTRECQL
SCHEMBL25217957 0.69 CYP1A2 (0.30) KMT2A
SCHEMBL28202910 0.69 CLK4 (0.47) ABL1SRCL3MBTL1MEN1MAPT
SCHEMBL15619030 0.68 CCNE2 (0.68) CCNE2CCNE1CDK2L3MBTL1MAPT
SCHEMBL3116066 0.68 POLB (0.71) ABL1SRCALDH1A1MAPTPOLB

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
CN-119790059-A Heterocyclic compounds as KRAS inhibitors, their preparation and therapeutic use 上海科州药物股份有限公司 2025-04-08 CN disclosed
CN-117813306-A Heterocyclic compounds as KRAS inhibitors, their preparation and therapeutic use 上海科州药物研发有限公司 2024-04-02 CN disclosed