SCHEMBL31420118

SCHEMBL31420118

Nc1n[nH]c2ccc(-c3ccnc4[nH]ccc34)cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNK O75909 2/20 0.58
CDK12 Q9NYV4 2/20 0.58
PRKCI P41743 6/20 0.56
CHEK1 O14757 1/20 0.54
CDK1 P06493 1/20 0.54
CDK4 P11802 1/20 0.54
CCNA2 P20248 1/20 0.54
CCND1 P24385 1/20 0.54
CDK2 P24941 1/20 0.54
CCND3 P30281 1/20 0.54
IKBKB O14920 4/20 0.52
CHUK O15111 4/20 0.52
JAK2 O60674 4/20 0.52
AURKB Q96GD4 2/20 0.52
JAK3 P52333 2/20 0.52
DAPK3 O43293 1/20 0.52
PRKD3 O94806 1/20 0.52
MAP4K4 O95819 1/20 0.52
PAK4 O96013 1/20 0.52
CSF1R P07333 1/20 0.52

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
SCHEMBL14020099 1.00 CCNK (0.58) CCNKCDK12PRKCICHEK1CDK1
SCHEMBL4748259 0.92 CCNK (0.62) CCNKCDK12PRKCICHEK1CDK1
SCHEMBL4751329 0.81 TLR8 (0.57) CCNKCDK12CHEK1JAK2JAK3
SCHEMBL31240621 0.80 JAK2 (0.50) PRKCICDK1CDK2CHUKJAK2
SCHEMBL31240700 0.80 CLK2 (0.58) JAK2JAK3CLK2DYRK1AJAK1
SCHEMBL4540461 0.80 DYRK1B (0.55) CCNA2CDK2JAK2JAK3DAPK3
SCHEMBL26686361 0.79 IKBKB (0.51) CDK1CDK2IKBKBCHUKJAK2
SCHEMBL26888731 0.79 CLK2 (0.51) CDK1CDK2JAK2AURKBJAK3
SCHEMBL31240519 0.78 TBK1 (0.51) PRKCIJAK2JAK3CLK2DYRK1A
SCHEMBL30633279 0.78 NUDT1 (0.52) CCNKCDK12PRKCIIKBKBCHUK

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-119562945-A IKK inhibitors 癌症研究技术有限公司 2025-03-04 CN claimed
CN-119562945-A IKK inhibitors 癌症研究技术有限公司 2025-03-04 CN disclosed