SCHEMBL31635952

SCHEMBL31635952

c1cncc(-c2cccnc2-c2cccnc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.64
CYP2A6 P11509 8/20 0.63
CYP3A4 P08684 3/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP1A2 P05177 2/20 0.56
KDM4E B2RXH2 2/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 1/20 0.47
NUDT1 P36639 1/20 0.46
TDO2 P48775 2/20 0.46
CYP2E1 P05181 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL28181896 1.00 PTGS2 (0.64) PTGS2CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL30032 1.00 PTGS2 (0.64) PTGS2CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL16026561 0.98 PTGS2 (0.62) PTGS2CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL16026727 0.98 PTGS2 (0.62) PTGS2CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL5395875 0.98 PTGS2 (0.62) PTGS2CYP2A6CYP3A4ALDH1A1CYP1A2
Benzene SCHEMBL9109284 0.98 PTGS2 (0.62) PTGS2CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL1323698 0.98 PTGS2 (0.62) PTGS2CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL16026628 0.98 PTGS2 (0.62) PTGS2CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL16026793 0.98 PTGS2 (0.62) PTGS2CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL1777671 0.98 PTGS2 (0.62) PTGS2CYP2A6CYP3A4ALDH1A1CYP1A2

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-2025137370-A1 SALT FORMS OF AN AXL INHIBITOR ARCUS BIOSCIENCES, INC. (US) 2025-06-26 WO disclosed