SCHEMBL7535971

SCHEMBL7535971

c1ccc(-c2ccnc(Nc3ccc(-n4ccnc4)cc3)n2)nc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.55
BCR P11274 2/20 0.55
PRKCA P17252 2/20 0.55
PDGFRB P09619 1/20 0.55
SRC P12931 1/20 0.55
PDGFRA P16234 1/20 0.55
PRKCD Q05655 1/20 0.55
SYK P43405 11/20 0.54
IKBKB O14920 1/20 0.53
ACVR1 Q04771 1/20 0.52
MAPK10 P53779 2/20 0.50
CBFB Q13951 1/20 0.47
JAK2 O60674 1/20 0.46
CYP3A4 P08684 1/20 0.45

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
SCHEMBL7465915 0.88 ABL1 (0.71) ABL1BCRPRKCAPDGFRBSRC
SCHEMBL7462511 0.82 IKBKB (0.64) ABL1BCRPRKCAPDGFRBSRC
SCHEMBL7464672 0.81 ABL1 (0.79) ABL1BCRPRKCAPDGFRBSRC
SCHEMBL7470857 0.79 ABL1 (0.63) ABL1BCRPRKCAPRKCDSYK
SCHEMBL7535607 0.79 SYK (0.54) ABL1BCRPRKCAPDGFRBSRC
SCHEMBL4903199 0.79 IKBKB (0.64) ABL1BCRPRKCAPDGFRBSRC
SCHEMBL4902560 0.79 ABL1 (0.72) ABL1BCRPRKCAPDGFRBSRC
SCHEMBL7464407 0.77 SYK (0.59) ABL1BCRPRKCASYK
SCHEMBL4894535 0.77 SYK (0.62) ABL1BCRPRKCASYKIKBKB
Hydrochloric Acid SCHEMBL10769093 0.76 SYK (0.60) ABL1BCRPRKCASYKIKBKB

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