SCHEMBL7472770

SCHEMBL7472770

c1ccc(-c2ccc(Nc3nccc(-c4ccncc4)n3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.67
PRKCA P17252 2/20 0.67
EGFR P00533 1/20 0.67
PRKCD Q05655 1/20 0.67
CAMK2D Q13557 4/20 0.64
MAPK8 P45983 3/20 0.63
IKBKB O14920 3/20 0.63
MAPK10 P53779 2/20 0.63
JAK2 O60674 2/20 0.61
JAK3 P52333 1/20 0.61
BCR P11274 2/20 0.60
SRC P12931 1/20 0.60
PIK3C3 Q8NEB9 1/20 0.58
PIK3CG P48736 4/20 0.57
GSK3B P49841 2/20 0.57
CAMKK2 Q96RR4 2/20 0.57
PIK3CA P42336 2/20 0.56
PIK3CB P42338 2/20 0.56
PLK1 P53350 1/20 0.55

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
SCHEMBL4029958 0.92 ABL1 (0.72) ABL1PRKCAEGFRPRKCDCAMK2D
SCHEMBL1593016 0.87 PRKCD (0.79) ABL1PRKCAEGFRPRKCDCAMK2D
SCHEMBL709831 0.84 IKBKB (0.59) ABL1PRKCAEGFRPRKCDCAMK2D
SCHEMBL7467852 0.83 PIK3CA (0.65) ABL1PRKCAEGFRPRKCDCAMK2D
SCHEMBL4903317 0.83 ABL1 (0.70) ABL1PRKCAEGFRPRKCDCAMK2D
SCHEMBL7470875 0.83 PLK1 (0.63) ABL1PRKCAEGFRPRKCDCAMK2D
SCHEMBL7470313 0.83 ABL1 (0.58) ABL1PRKCAEGFRPRKCDCAMK2D
Nitric Acid SCHEMBL10765821 0.82 ABL1 (0.68) ABL1PRKCAEGFRPRKCDCAMK2D
Nitric Acid SCHEMBL10765825 0.82 ABL1 (0.68) ABL1PRKCAEGFRPRKCDCAMK2D
SCHEMBL4903404 0.82 JAK2 (0.68) ABL1PRKCAEGFRPRKCDCAMK2D

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