SCHEMBL31240848

SCHEMBL31240848

Clc1ccnc2[nH]c(-c3ccncc3)cc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.59
PIM1 P11309 1/20 0.59
CDK9 P50750 1/20 0.59
KIT P10721 2/20 0.50
CCNB2 O95067 1/20 0.45
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
CCNB3 Q8WWL7 1/20 0.45
EGFR P00533 2/20 0.44
GCGR P47871 2/20 0.43
AXL P30530 1/20 0.43
PRKCI P41743 1/20 0.43
MAPK14 Q16539 1/20 0.43
JAK2 O60674 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
DAO P14920 1/20 0.41
CLK1 P49759 1/20 0.41
NPY5R Q15761 1/20 0.41
CLK2 P49760 1/20 0.41

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
SCHEMBL16041244 0.87 CDC7 (0.59) CDC7PIM1CDK9CCNB2CDK1
SCHEMBL31240593 0.87 CDC7 (0.59) CDC7PIM1CDK9CCNB2CDK1
SCHEMBL31240791 0.84 CDC7 (0.53) CDC7PIM1CDK9KITCCNB2
SCHEMBL31240630 0.83 CDC7 (0.52) CDC7PIM1CDK9KITCCNB2
SCHEMBL30570949 0.83 CDC7 (0.52) CDC7PIM1CDK9KITEGFR
SCHEMBL1840354 0.83 CDC7 (0.52) CDC7PIM1CDK9CCNB2CDK1
SCHEMBL1777011 0.80 CDC7 (0.56) CDC7PIM1CDK9CCNB2CDK1
SCHEMBL6642440 0.80 KIT (0.50) CDC7KITCCNB2CDK1CCNB1
SCHEMBL31240691 0.80 CDK9 (0.52) CDC7PIM1CDK9KITCCNB2
SCHEMBL3982045 0.79 KIT (0.59) KITEGFRGCGRMAPK14

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