SCHEMBL31240929

SCHEMBL31240929

Fc1cc(-c2cc3c(Cl)ccnc3[nH]2)cc(F)c1CN1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 3/20 0.49
▸ CDC7 O00311 1/20 0.49
▸ PIM1 P11309 1/20 0.49
▸ CHEK1 O14757 2/20 0.41
▸ CDK1 P06493 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ CNR1 P21554 3/20 0.39
▸ CNR2 P34972 3/20 0.39
▸ CHKA P35790 1/20 0.39
▸ METAP2 P50579 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ CLK2 P49760 1/20 0.38
▸ CLK3 P49761 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ ACHE P22303 1/20 0.37
▸ CSF1R P07333 1/20 0.37
▸ AURKA O14965 2/20 0.37
▸ AURKB Q96GD4 2/20 0.37

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
SCHEMBL26889371 0.77 CCNK (0.45) CDK9CDC7PIM1CHEK1CNR1
SCHEMBL26889301 0.77 CCNK (0.45) CDK9CDC7PIM1CHEK1CNR1
SCHEMBL31240258 0.77 DYRK1A (0.44) CLK2CLK3DYRK1A
SCHEMBL31240722 0.74 CDK9 (0.56) CDK9CDC7PIM1CDK1CDK2
SCHEMBL31240886 0.73 CDK9 (0.46) CDK9CDC7PIM1CHEK1CDK1
SCHEMBL24596893 0.73 CDK9 (0.57) CDK9CDC7PIM1CDK1CDK2
SCHEMBL31240772 0.73 CSF1R (0.67) CDK9CDC7PIM1CDK1CDK2
SCHEMBL31240691 0.73 CDK9 (0.52) CDK9CDC7PIM1CDK1CCNT1
SCHEMBL31240779 0.72 CDK9 (0.47) CDK9CDC7PIM1CCNT1
SCHEMBL31240759 0.72 CDK9 (0.40) CDK9CDC7PIM1CDK1CSF1R

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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