SCHEMBL14693003

SCHEMBL14693003

CC1C=C(c2ccc(-c3cc4cnc(Nc5ccc(C6CCNCC6)cc5)nc4n(-c4ccccc4)c3=O)c(C(F)(F)F)c2)C=N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.42
BRD4 O60885 3/20 0.42
JAK3 P52333 2/20 0.42
JAK1 P23458 1/20 0.42
BRD2 P25440 1/20 0.42
BRD3 Q15059 1/20 0.42
BRDT Q58F21 1/20 0.42
WEE1 P30291 1/20 0.40
PTK2 Q05397 5/20 0.40
FLT4 P35916 5/20 0.40
CDK4 P11802 2/20 0.39
CCND1 P24385 2/20 0.39
CCND2 P30279 1/20 0.39
CCND3 P30281 1/20 0.39
KDR P35968 2/20 0.38
FGFR1 P11362 2/20 0.38
FGFR4 P22455 2/20 0.38
CSF1R P07333 2/20 0.38
CCNA2 P20248 1/20 0.38
FGFR2 P21802 1/20 0.38

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
SCHEMBL13553481 0.95 JAK2 (0.43) JAK2BRD4JAK3JAK1BRD2
SCHEMBL14681938 0.86 MAP4K3 (0.46) JAK2BRD4JAK3JAK1BRD2
SCHEMBL14682014 0.79 JAK2 (0.49) JAK2BRD4JAK3JAK1BRD2
SCHEMBL13553699 0.75 CDK4 (0.45) JAK2BRD4JAK3JAK1BRD2
SCHEMBL15035077 0.75 WEE1 (0.44) WEE1CDK4CCND1CCND2CCND3
SCHEMBL14684875 0.75 PAK4 (0.52) JAK2BRD4JAK3JAK1BRD2
SCHEMBL13553860 0.74 CDK4 (0.40) JAK2BRD4JAK3JAK1BRD2
SCHEMBL15785217 0.74 WEE1 (0.43) WEE1CDK4CCND1CCND2CCND3
SCHEMBL15036135 0.73 WEE1 (0.43) JAK2BRD4WEE1PTK2FLT4
SCHEMBL14682091 0.72 CDK4 (0.41) JAK2BRD4JAK3JAK1BRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372970-B2 8-ethyl-6-(aryl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS, INC. (US) 2013-02-12 US disclosed
US-8372970-B2 8-ethyl-6-(aryl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS, INC. (US) 2013-02-12 US disclosed