SCHEMBL31293985

SCHEMBL31293985

O=C(NC1CC2(C1)CN(C(=O)c1cnn3ccncc13)C2)c1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.46
ATXN2 Q99700 2/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CCR2 P41597 7/20 0.39
KCNH2 Q12809 4/20 0.39
RPS6KB1 P23443 1/20 0.39
PAK1 Q13153 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
PHGDH O43175 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
TP53 P04637 1/20 0.37
EPHB3 P54753 1/20 0.37

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
SCHEMBL31294000 0.87 SMYD3 (0.44) ENPP2ATXN2MEN1KMT2A
SCHEMBL31293991 0.87 EPHX2 (0.46) MEN1KMT2A
SCHEMBL31293957 0.84 EPHX2 (0.43) ENPP2ATXN2MEN1KMT2ATSHR
SCHEMBL31293718 0.82 KDR (0.41) MEN1KMT2ATSHREPHB3
SCHEMBL31293453 0.80 LMNA (0.42) MEN1KMT2ATSHRNPSR1HSD17B10
SCHEMBL31293655 0.79 POLB (0.47) MEN1KMT2ATSHRTP53
SCHEMBL31293895 0.79 CXCR3 (0.39) ENPP2ATXN2EPHB3
SCHEMBL31293866 0.78 KDR (0.39) TSHRPAK1EPHB3
SCHEMBL31293523 0.77 KDR (0.48) MEN1KMT2ATP53
SCHEMBL31293965 0.75 SPR (0.39) ENPP2ATXN2HSD17B10EPHB3

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-4724439-A1 HETEROARYL DERIVATIVES AS DDRS INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2026-04-15 EP disclosed
WO-2024251855-A1 HETEROARYL DERIVATIVES AS DDRS INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-12-12 WO disclosed