SCHEMBL31240752

SCHEMBL31240752

Brc1ccnc(NCCc2ccccn2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.69
EGFR P00533 1/20 0.53
APP P05067 4/20 0.51
HRH3 Q9Y5N1 1/20 0.50
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
TAAR1 Q96RJ0 1/20 0.49
ALOX15 P16050 1/20 0.49
PIM1 P11309 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP2C19 P33261 2/20 0.44
MKNK1 Q9BUB5 1/20 0.44
CYP2D6 P10635 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CCNC P24863 1/20 0.43

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
SCHEMBL15716863 0.84 MAPT (0.54) CYP1A2EGFRALDH1A1NPC1RAB9A
SCHEMBL27513658 0.82 CYP1A2 (1.00) CYP1A2APPHRH3ALDH1A1LMNA
SCHEMBL9093601 0.82 CYP1A2 (0.69) CYP1A2EGFRAPPHRH3ALDH1A1
SCHEMBL28043558 0.81 CCNC (0.58) ALDH1A1LMNATAAR1RAB9AMKNK1
SCHEMBL12705207 0.76 CYP1A2 (0.69) CYP1A2EGFRAPPHRH3ALDH1A1
SCHEMBL31240510 0.76 HPGD (0.55) NPC1RAB9AKDM4ECCNCCDK8
SCHEMBL19751933 0.75 CYP1A2 (0.84) CYP1A2APPHRH3ALDH1A1LMNA
SCHEMBL31240645 0.75 MKNK1 (0.51) CYP1A2CYP2C19MKNK1CYP2D6CYP3A4
SCHEMBL25378685 0.74 LMNA (0.47) CYP1A2EGFRALDH1A1LMNAPIM1
SCHEMBL2170006 0.74 CCNC (0.47) ALDH1A1KDM4ECCNCCDK8

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