SCHEMBL30570949

SCHEMBL30570949

Clc1ccnc2[nH]c(-c3cccnc3)cc12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.52
PIM1 P11309 1/20 0.52
CDK9 P50750 1/20 0.52
PIK3C3 Q8NEB9 2/20 0.49
KIT P10721 2/20 0.48
CLK2 P49760 2/20 0.48
CLK3 P49761 2/20 0.48
DYRK1A Q13627 2/20 0.48
NPY5R Q15761 3/20 0.48
CYP19A1 P11511 1/20 0.48
EGFR P00533 2/20 0.47
CYP2A6 P11509 1/20 0.46
CSF1R P07333 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
CCNK O75909 1/20 0.45
CDK12 Q9NYV4 1/20 0.45

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
SCHEMBL31240791 0.86 CDC7 (0.53) CDC7PIM1CDK9PIK3C3KIT
SCHEMBL16041244 0.86 CDC7 (0.59) CDC7PIM1CDK9CYP19A1EGFR
SCHEMBL31240593 0.86 CDC7 (0.59) CDC7PIM1CDK9CYP19A1EGFR
SCHEMBL31240848 0.83 CDC7 (0.59) CDC7PIM1CDK9KITCLK2
SCHEMBL20927913 0.82 PIK3C3 (0.51) PIK3C3KITCLK2CLK3DYRK1A
SCHEMBL31240751 0.79 CCNB2 (0.61) CDC7PIM1CDK9EGFRCSF1R
SCHEMBL31240688 0.79 CDK9 (0.50) CDC7PIM1CDK9EGFRCSF1R
SCHEMBL20765188 0.78 PIK3C3 (0.48) CDC7PIM1CDK9PIK3C3KIT
SCHEMBL30380842 0.78 PIK3C3 (0.48) CDC7PIM1CDK9PIK3C3KIT
SCHEMBL20765227 0.76 SCN2A (0.50) CDC7PIM1CDK9PIK3C3KIT

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 3 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
CN-116589461-A Azaindolylpyridone compounds and diazaindolylpyridone compounds 思普瑞特生物科学公司 2023-08-15 CN disclosed