SCHEMBL4008991

SCHEMBL4008991

Nc1ncc(-c2cccc(N3CCNCC3)c2)nc1-c1nc2ccc(F)cc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATR Q13535 17/20 0.60
CDK1 P06493 1/20 0.51
CDK2 P24941 1/20 0.51
MKNK1 Q9BUB5 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51
PRKCI P41743 1/20 0.47
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
JAK3 P52333 1/20 0.46

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
SCHEMBL4011663 0.89 ATR (0.75) ATRCDK1CDK2MKNK1MKNK2
SCHEMBL4009204 0.81 ATR (0.67) ATR
SCHEMBL4016014 0.80 ATR (0.66) ATR
SCHEMBL4555462 0.79 ATR (0.81) ATR
SCHEMBL4003249 0.79 ATR (0.64) ATR
SCHEMBL13139379 0.79 ATR (0.70) ATRCDK1CDK2MKNK1MKNK2
SCHEMBL4009691 0.79 ATR (0.72) ATR
SCHEMBL4043371 0.78 ATR (0.78) ATRCDK1CDK2MKNK1MKNK2
SCHEMBL4009550 0.78 ATR (0.72) ATR
SCHEMBL3979058 0.76 ATR (0.76) ATRCDK1CDK2MKNK1MKNK2

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
WO-2009007390-A2 2-PYRAZ INYLBENZ IMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-01-15 WO claimed