SCHEMBL31723351

SCHEMBL31723351

O=c1c2c(Cl)c(Br)ccc2ncn1CC1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B13 Q7Z5P4 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
BRAF P15056 1/20 0.40
BRD4 O60885 1/20 0.39
CDK9 P50750 2/20 0.37
CHEK1 O14757 1/20 0.35
CYP2D6 P10635 1/20 0.35
GRM1 Q13255 2/20 0.34
DRD2 P14416 1/20 0.34
NFE2L2 Q16236 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ABL1 P00519 1/20 0.33
DDR1 Q08345 1/20 0.33
NR3C1 P04150 1/20 0.32
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
PRPS1 P60891 1/20 0.32

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
SCHEMBL30987315 0.77 USP7 (0.45) HSD17B13CDK9KDM4E
SCHEMBL22831795 0.77 BRAF (0.47) HSD17B13SIGMAR1BRAFCYP2D6GRM1
SCHEMBL27453692 0.74 HSD17B13 (0.42) HSD17B13BRAFBRD4CDK9
SCHEMBL29281526 0.74 HSD17B13 (0.41) HSD17B13BRAFBRD4CDK9
SCHEMBL24879033 0.73 CLK1 (0.48) HSD17B13BRAFGRM1KDM4E
Hydrochloric Acid SCHEMBL29743558 0.72 ACHE (0.49) CYP2D6DRD2
SCHEMBL27216075 0.71 CYP11B2 (0.42) HSD17B13BRAFBRD4CDK9
SCHEMBL31723352 0.71 BRAF (0.38) HSD17B13BRAF
SCHEMBL24879123 0.71 BRAF (0.46) HSD17B13BRAFKDM4E
SCHEMBL8279991 0.70 HSD17B13 (0.48) HSD17B13SIGMAR1BRD4CDK9CHEK1

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
EP-4647433-A1 SHP2 INHIBITOR AND USES THEREOF Kanaph Therapeutics Inc. (KR) 2025-11-12 EP disclosed