SCHEMBL7463871

SCHEMBL7463871

O=C(O)c1cccc(Nc2nccc(-c3ccccn3)n2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.70
BCR P11274 3/20 0.70
PRKCA P17252 3/20 0.70
NPC1 O15118 1/20 0.68
RAB9A P51151 1/20 0.68
IKBKB O14920 1/20 0.67
MAPK8 P45983 2/20 0.63
PIK3CG P48736 2/20 0.63
GSK3B P49841 2/20 0.63
CAMKK2 Q96RR4 2/20 0.63
CSNK2A2 P19784 1/20 0.63
CSNK2B P67870 1/20 0.63
RHOA P61586 1/20 0.62
CAMK2D Q13557 3/20 0.61
AURKA O14965 3/20 0.61
KDM4E B2RXH2 1/20 0.57
KDM6B O15054 1/20 0.57
KDM4A O75164 1/20 0.57
KDM5C P41229 1/20 0.57
KDM4C Q9H3R0 1/20 0.57

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
SCHEMBL4903688 0.89 MAPK8 (0.63) ABL1BCRPRKCAMAPK8PIK3CG
SCHEMBL3123402 0.86 ABL1 (0.74) ABL1BCRPRKCAPRKD3PRKCG
SCHEMBL5379812 0.84 ABL1 (0.77) ABL1BCRPRKCANPC1RAB9A
SCHEMBL4902223 0.84 ABL1 (0.80) ABL1BCRPRKCANPC1RAB9A
SCHEMBL7470857 0.83 ABL1 (0.63) ABL1BCRPRKCANPC1RAB9A
SCHEMBL25339113 0.83 ABL1 (0.65) ABL1BCRPRKCANPC1RAB9A
SCHEMBL31119021 0.83 ABL1 (0.65) ABL1BCRPRKCANPC1RAB9A
SCHEMBL7470116 0.82 JAK2 (0.68) ABL1BCRPRKCAAURKAPRKD3
SCHEMBL1655099 0.82 ABL1 (1.00) ABL1BCRPRKCANPC1RAB9A
SCHEMBL27115954 0.82 ABL1 (0.74) ABL1BCRPRKCANPC1RAB9A

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-0233461-B2 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 2002-05-29 EP disclosed