SCHEMBL7464633

SCHEMBL7464633

CCc1ccc(Nc2nccc(-c3ccc(C)nc3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.51
PRKCA P17252 2/20 0.51
EGFR P00533 1/20 0.51
PRKCD Q05655 1/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
JAK2 O60674 4/20 0.48
BCR P11274 2/20 0.48
JAK3 P52333 2/20 0.48
KIT P10721 1/20 0.47
PIK3CA P42336 4/20 0.46
PIK3CB P42338 4/20 0.46
PIK3CG P48736 4/20 0.46
MAPK8 P45983 1/20 0.46
MAPK10 P53779 1/20 0.46
IKBKB O14920 3/20 0.45
CAMK2D Q13557 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CHUK O15111 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
SCHEMBL7475710 0.86 ABL1 (0.71) ABL1PRKCAEGFRPRKCDBCR
SCHEMBL7466611 0.85 RAB9A (0.63) ABL1NPC1RAB9ABCRKIT
SCHEMBL13185630 0.81 IKBKB (0.60) ABL1PRKCAEGFRPRKCDNPC1
SCHEMBL7465536 0.81 ABL1 (0.54) ABL1PRKCAEGFRPRKCDNPC1
SCHEMBL6957436 0.78 ZAP70 (0.66) PRKCAEGFRPRKCDIKBKBCHUK
SCHEMBL7459060 0.77 NPC1 (0.46) ABL1PRKCAEGFRPRKCDNPC1
SCHEMBL7469906 0.77 IKBKB (0.63) ABL1PRKCAEGFRPRKCDNPC1
SCHEMBL10346581 0.76 JAK2 (0.70) EGFRJAK2JAK3MAPK8MAPK10
SCHEMBL7475790 0.76 IKBKB (0.64) NPC1RAB9AIKBKBCHUK
SCHEMBL7460307 0.75 SYK (0.55) ABL1PRKCABCR

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 3 patents. 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 claimed
EP-0233461-B1 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 1996-03-20 EP claimed
EP-0233461-B2 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 2002-05-29 EP disclosed