SCHEMBL31240682

SCHEMBL31240682

NC(=O)C(CN1CCCCC1)c1cccc(-c2cc3c(Cl)ccnc3[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 1/20 0.42
▸ PIM1 P11309 1/20 0.42
▸ CDK9 P50750 1/20 0.42
▸ EGFR P00533 2/20 0.39
▸ AURKB Q96GD4 5/20 0.38
▸ KIT P10721 4/20 0.38
▸ AURKA O14965 3/20 0.38
▸ CHUK O15111 2/20 0.38
▸ INSR P06213 2/20 0.38
▸ MAPK8 P45983 2/20 0.38
▸ CAMKK2 Q96RR4 2/20 0.38
▸ NTSR1 P30989 1/20 0.37
▸ RIPK1 Q13546 1/20 0.37
▸ RPS6KB1 P23443 2/20 0.36
▸ AKT1 P31749 2/20 0.36
▸ INCENP Q9NQS7 2/20 0.36
▸ NUDT1 P36639 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 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
SCHEMBL31240796 0.81 CHUK (0.42) CDC7PIM1CDK9EGFRKIT
SCHEMBL31240797 0.75 ALDH1A1 (0.56) —
SCHEMBL31240620 0.72 PRKCI (0.54) CDC7PIM1CDK9EGFRAURKB
SCHEMBL31240729 0.69 CD74 (0.50) CDC7PIM1CDK9EGFRCHUK
SCHEMBL31240751 0.68 CCNB2 (0.61) CDC7PIM1CDK9EGFRRIPK1
SCHEMBL31240688 0.68 CDK9 (0.50) CDC7PIM1CDK9EGFRRIPK1
SCHEMBL31240929 0.68 CDK9 (0.49) CDC7PIM1CDK9AURKBAURKA
SCHEMBL31240811 0.68 TBK1 (0.56) CDC7PIM1CDK9AURKBKIT
SCHEMBL28068532 0.67 MITF (0.48) NTSR1
SCHEMBL16041244 0.67 CDC7 (0.59) CDC7PIM1CDK9EGFRAURKB

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-4705291-A1 IKK-ALPHA INHIBITORS Cancer Research Technology Limited (GB) 2026-03-11 — — EP disclosed
WO-2024228035-A1 IKK-ALPHA INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-11-07 — — WO disclosed
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