SCHEMBL31277883

SCHEMBL31277883

COc1ncnc2nncnc12

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
PDPK1 O15530 1/20 0.43
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.32
ALDH1A1 P00352 2/20 0.30
FLT4 P35916 1/20 0.30
KDR P35968 1/20 0.30
ATM Q13315 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
SCHEMBL31278457 0.98 CYP1A2 (0.47) CYP1A2CYP2C19PDPK1MAPTMEN1
SCHEMBL3392861 0.73 CYP1A2 (0.48) CYP1A2CYP2C19PDPK1MAPTMEN1
SCHEMBL6935919 0.70
Ammonia Solution, Strong SCHEMBL4358263 0.68 CYP1A2 (0.44) CYP1A2CYP2C19PDPK1MAPTMEN1
SCHEMBL23178892 0.68 CYP1A2 (0.30) CYP1A2CYP2C19MAPTALDH1A1
SCHEMBL16431132 0.67 CYP1A2 (0.51) CYP1A2CYP2C19
SCHEMBL16431133 0.65 CYP1A2 (1.00) CYP1A2CYP2C19PDPK1MEN1KMT2A
SCHEMBL6938040 0.65 CYP1A2 (0.42) CYP1A2CYP2C19PDPK1MAPTALDH1A1
SCHEMBL6938627 0.65 CYP1A2 (0.42) CYP1A2CYP2C19PDPK1MAPTALDH1A1
SCHEMBL6935926 0.65 CYP1A2 (0.42) CYP1A2CYP2C19PDPK1MAPTALDH1A1

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-4720067-A1 BICYCLIC HETEROARYLAMIDES HAVING GPR68 MODULATING ACTIVITY Recursion Pharmaceuticals, Inc. (US) 2026-04-08 EP disclosed
WO-2024246559-A1 BICYCLIC HETEROARYLAMIDES HAVING GPR68 MODULATING ACTIVITY EXSCIENTIA AI LIMITED (GB) 2024-12-05 WO disclosed