SCHEMBL29902835

SCHEMBL29902835

C=Cc1cccc2ncn(C)c12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.41
DPP8 Q6V1X1 4/20 0.41
FGFR1 P11362 2/20 0.34
ACVR1 Q04771 2/20 0.34
IP6K1 Q92551 1/20 0.34
ADORA2B P29275 1/20 0.33
TGFBR1 P36897 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 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
SCHEMBL20404677 0.77 IP6K1 (0.43) ACVR1IP6K1TGFBR1
SCHEMBL10673703 0.76 DPP4 (0.49) DPP4DPP8ADORA2B
SCHEMBL30430122 0.75 DPP4 (0.35) DPP4DPP8ADORA2B
SCHEMBL4724897 0.73 DPP4 (0.50) DPP4DPP8FGFR1ADORA2B
SCHEMBL24686841 0.72 DPP4 (0.41) DPP4DPP8FGFR1ACVR1DRD2
SCHEMBL1013519 0.72 ALDH1A1 (0.50) DPP4DPP8FGFR1
SCHEMBL8050564 0.72 FGFR1 (0.56) DPP4DPP8FGFR1DRD2DRD3
SCHEMBL16140228 0.72 DPP4 (0.43) DPP4DPP8FGFR1DRD2DRD3
SCHEMBL21187468 0.72 DPP4 (0.51) DPP4DPP8FGFR1
SCHEMBL15268278 0.72 DPP4 (0.41) DPP4DPP8FGFR1DRD2DRD3

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-4077316-A1 BENZIMIDAZOLE DERIVATIVES Pfizer Inc. (US) 2022-10-26 EP disclosed