SCHEMBL6995012

SCHEMBL6995012

COc1ccc2c(c1)-c1nc(Nc3cc(O)cc(C(F)(F)F)c3)ncc1CC2(C)C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.53
PLK1 P53350 11/20 0.47
KDR P35968 9/20 0.47
CDK2 P24941 2/20 0.41
CDK9 P50750 1/20 0.41
IGF1R P08069 1/20 0.41
IKBKB O14920 1/20 0.41
INSR P06213 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
AXL P30530 1/20 0.39
TYRO3 Q06418 1/20 0.39
MERTK Q12866 1/20 0.39
SRC P12931 1/20 0.39
ZAP70 P43403 1/20 0.39
SYK P43405 1/20 0.39

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
SCHEMBL7232580 0.85 KDR (0.63) FYNPLK1KDRIGF1RIKBKB
Hydrochloric Acid SCHEMBL7000614 0.84 KDR (0.64) FYNPLK1KDRCDK2CDK9
SCHEMBL7001153 0.83 FYN (0.56) FYNPLK1KDRIGF1RIKBKB
Hydrochloric Acid SCHEMBL7090934 0.82 FYN (0.62) FYNPLK1KDRIGF1RAXL
SCHEMBL7241122 0.81 FYN (0.65) FYNPLK1KDRIGF1RIKBKB
Hydrochloric Acid SCHEMBL7242637 0.80 FYN (0.59) FYNPLK1KDRIGF1RIKBKB
SCHEMBL7240552 0.80 FYN (0.55) FYNPLK1KDRIGF1RIKBKB
SCHEMBL7231388 0.80 FYN (0.61) FYNPLK1KDRCDK2IGF1R
Hydrochloric Acid SCHEMBL7232574 0.79 PLK1 (0.64) FYNPLK1KDRIGF1RIKBKB
Hydrochloric Acid SCHEMBL7240228 0.79 FYN (0.65) FYNPLK1KDRIGF1RIKBKB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0989985-B1 FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 2003-11-05 EP disclosed
US-6133257-A Fused polycyclic 2-aminopyrimidine derivatives CELLTECH THERAPEUTICS LIMITED (GB) 2000-10-17 US disclosed
EP-0989985-A1 FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 2000-04-05 EP disclosed
WO-1998058926-A1 FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-12-30 WO disclosed