SCHEMBL31240355

SCHEMBL31240355

Fc1cc(-c2cc3c(Cl)ccnc3[nH]2)cc(CNC2CCCCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 10/20 0.41
▸ CDC7 O00311 2/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ CYP2D6 P10635 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CCNT1 O60563 8/20 0.36
▸ OPRL1 P41146 4/20 0.36
▸ ACHE P22303 1/20 0.35
▸ GLA P06280 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL31240799 0.80 CDK9 (0.42) CDK9CDC7PIM1CYP2D6CCNT1
SCHEMBL31240504 0.79 DYRK1A (0.40) CDK9CCNT1
SCHEMBL31240691 0.79 CDK9 (0.52) CDK9CDC7PIM1CCNT1
SCHEMBL31240636 0.78 CDK9 (0.40) CDK9CDC7PIM1CCNT1
SCHEMBL26889142 0.76 HTT (0.42) CDK9CDC7PIM1CYP2D6HPGD
SCHEMBL31240722 0.75 CDK9 (0.56) CDK9CDC7PIM1CCNT1
SCHEMBL31240785 0.73 CDK9 (0.47) CDK9CDC7PIM1CCNT1
SCHEMBL31240630 0.71 CDC7 (0.52) CDK9CDC7PIM1
SCHEMBL16041242 0.67 CSF1R (0.52) CDK9CCNT1
SCHEMBL31240664 0.65 CDK9 (0.48) CDK9CDC7PIM1CCNT1

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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