SCHEMBL9791663

SCHEMBL9791663

Oc1cccc(C=Cc2cnccn2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.66
RAB9A P51151 2/20 0.66
LCK P06239 2/20 0.53
CYSLTR2 Q9NS75 1/20 0.50
CYSLTR1 Q9Y271 1/20 0.50
CYP1A1 P04798 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP1B1 Q16678 1/20 0.50
MEN1 O00255 2/20 0.49
NPC1 O15118 2/20 0.49
CCNB2 O95067 1/20 0.49
CDK1 P06493 1/20 0.49
CDK4 P11802 1/20 0.49
CCNB1 P14635 1/20 0.49
CCND1 P24385 1/20 0.49
CCNB3 Q8WWL7 1/20 0.49
KDM1A O60341 1/20 0.47
ABL1 P00519 1/20 0.45
BCR P11274 1/20 0.45
USP2 O75604 1/20 0.43

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
SCHEMBL9791660 1.00 KMT2A (0.66) KMT2ARAB9ALCKCYSLTR2CYSLTR1
SCHEMBL9131383 0.81 KDM1A (0.61) KMT2ARAB9ALCKCYSLTR2CYSLTR1
SCHEMBL28600212 0.81 RAB9A (0.53) KMT2ARAB9AMEN1NPC1CDK1
SCHEMBL28600214 0.81 RAB9A (0.53) KMT2ARAB9AMEN1NPC1CDK1
SCHEMBL30195193 0.81 RAB9A (0.53) KMT2ARAB9AMEN1NPC1CDK1
SCHEMBL19076268 0.80 RELA (0.55) KMT2ARAB9ACYP1A1CYP1A2CYP1B1
SCHEMBL9792421 0.80 KMT2A (1.00) KMT2ARAB9ALCKCYP1A1CYP1A2
SCHEMBL9792505 0.80 KMT2A (1.00) KMT2ARAB9ALCKCYP1A1CYP1A2
SCHEMBL11063434 0.80 USP2 (0.63) KMT2ARAB9ALCKCYSLTR2CYSLTR1
SCHEMBL11063424 0.80 USP2 (0.63) KMT2ARAB9ALCKCYSLTR2CYSLTR1

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
JP-3077871-A None JP disclosed
JP-H0377871-A 2-(2-(3-HYDROXYPHENYL)VINYL)-PYRAZINE AND ITS PRODUCTION SEKISUI CHEM CO LTD 1991-04-03 JP disclosed