SCHEMBL22114530

SCHEMBL22114530

CN1CCC(n2cc(Nc3ncc(F)c(-c4ccc(C(=O)NCC#N)cc4)n3)cn2)CC1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.65
JAK3 P52333 15/20 0.65
JAK1 P23458 11/20 0.65
CDK4 P11802 1/20 0.51
CCNA2 P20248 1/20 0.51
CDK2 P24941 1/20 0.51
CDK6 Q00534 1/20 0.51
MYLK4 Q86YV6 1/20 0.48
STK17A Q9UEE5 1/20 0.48
MAPK6 Q16659 1/20 0.46
MAP3K14 Q99558 1/20 0.46
IGF1R P08069 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
SCHEMBL22114667 0.94 JAK2 (0.65) JAK2JAK3JAK1CDK4CDK2
SCHEMBL22089802 0.91 JAK3 (0.65) JAK2JAK3JAK1MAP3K14IGF1R
SCHEMBL29941749 0.91 JAK3 (0.65) JAK2JAK3JAK1MAP3K14IGF1R
SCHEMBL22089900 0.91 JAK2 (0.65) JAK2JAK3JAK1CDK2IGF1R
SCHEMBL22097940 0.90 JAK2 (0.61) JAK2JAK3JAK1CDK4CCNA2
SCHEMBL29942188 0.88 CDK4 (0.54) JAK2JAK3JAK1CDK4CCNA2
SCHEMBL22089701 0.88 CDK4 (0.54) JAK2JAK3JAK1CDK4CCNA2
SCHEMBL28600652 0.88 CDK4 (0.54) JAK2JAK3JAK1CDK4CCNA2
SCHEMBL22097751 0.88 CDK4 (0.54) JAK2JAK3JAK1CDK4CCNA2
SCHEMBL29942180 0.88 CDK4 (0.54) JAK2JAK3JAK1CDK4CCNA2

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-2020118683-A1 BENZAMIDES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2020-06-18 WO disclosed