SCHEMBL19062199

SCHEMBL19062199

CCCNc1ccnc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 9/20 0.45
SMARCA4 P51532 8/20 0.45
RECQL P46063 1/20 0.40
LOX P28300 1/20 0.40
LOXL3 P58215 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
ABL1 P00519 1/20 0.38
GHSR Q92847 1/20 0.38
TNIK Q9UKE5 1/20 0.38
NR1I2 O75469 1/20 0.37
AHR P35869 1/20 0.37
AR P10275 1/20 0.37
GRM4 Q14833 1/20 0.37
PIK3CA P42336 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
GRM5 P41594 1/20 0.35

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
SCHEMBL4635970 0.85 SMARCA2 (0.47) SMARCA2SMARCA4RECQLLOXLOXL3
SCHEMBL17233219 0.83 SMARCA2 (0.45) SMARCA2SMARCA4RECQLLOXLOXL3
SCHEMBL19030966 0.81 LOX (0.48) SMARCA2SMARCA4RECQLLOXLOXL3
SCHEMBL14101817 0.81 RECQL (0.48) SMARCA2SMARCA4RECQLLOXLOXL3
SCHEMBL24615889 0.81 ALDH1A1 (0.48) SMARCA2SMARCA4
SCHEMBL11454686 0.81 HRH3 (0.46) SMARCA2SMARCA4
SCHEMBL21608361 0.79 SMARCA2 (0.47) SMARCA2SMARCA4RECQLLOXLOXL3
SCHEMBL1419548 0.78 AR (0.49) ABL1AR
SCHEMBL12764425 0.76 ESR1 (0.44) SMARCA2SMARCA4RECQLLOXLOXL3
SCHEMBL10502486 0.76 SMARCA2 (0.62) SMARCA2SMARCA4PIK3CAMAPK8MAPK9

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-2017109027-A1 IMPROVED PROCESS FOR MAKING CROTONYLAMINOPYRIDINES INTERVET INTERNATIONAL B.V. (NL) 2017-06-29 WO disclosed