SCHEMBL31661808

SCHEMBL31661808

Cn1cc(C(F)(F)F)nc1-c1ccc(C(=N)NOC(=O)C2(C)CCCc3sc(N)c(C#N)c32)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KRAS P01116 8/20 0.45
SOS1 Q07889 2/20 0.36
SCN9A Q15858 1/20 0.33
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL31661811 0.81 KRAS (0.43) KRASSCN9AKDM4EALDH1A1MAPT
SCHEMBL31661786 0.77 ADRB2 (0.35) SCN9AKDM4EALDH1A1HPGDCYP3A4
SCHEMBL31661616 0.76 KRAS (0.59) KRASSOS1SCN9A
SCHEMBL31661812 0.71 ADRB2 (0.45) KDM4EALDH1A1HPGDCYP3A4CYP2D6
SCHEMBL38652202 0.70 KRAS (0.75) KRASSOS1KDM4EALDH1A1MAPT
SCHEMBL31328754 0.69 KRAS (0.66) KRASSOS1KDM4EALDH1A1MAPT
SCHEMBL24091435 0.67 KRAS (0.70) KRASSOS1KDM4EALDH1A1MAPT
SCHEMBL31661760 0.67 USP1 (0.41) KDM4EALDH1A1HPGDCYP3A4CYP2D6
SCHEMBL31661807 0.66 ADRB2 (0.41) KDM4EALDH1A1HPGDCYP3A4CYP2D6
SCHEMBL24091569 0.65 KRAS (1.00) KRASSOS1KDM4EALDH1A1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025151705-A1 NOVEL INHIBITORS OF DNA DAMAGE REPAIR PATHWAY VRISE THERAPEUTICS, INC. (US) 2025-07-17 WO disclosed