SCHEMBL3359095

SCHEMBL3359095

CN1CCC(c2ccc(Nc3nc(-c4cncnc4)cc4c3C(=O)[N]C=C4)cc2C(F)(F)F)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 2/20 0.45
KDR P35968 1/20 0.36
CCNA2 P20248 2/20 0.36
CDK2 P24941 2/20 0.36
CCNA1 P78396 2/20 0.36
SYK P43405 7/20 0.35
JAK2 O60674 2/20 0.34
PTK2 Q05397 2/20 0.33
DRD2 P14416 1/20 0.33
HTR1B P28222 1/20 0.33
HTR6 P50406 1/20 0.33
EGFR P00533 1/20 0.33
ACVR1 Q04771 1/20 0.33
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
DDR1 Q08345 1/20 0.32
DDR2 Q16832 1/20 0.32

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
SCHEMBL3361858 0.90 ZAP70 (0.47) ZAP70CCNA2CDK2SYKJAK2
SCHEMBL3361975 0.89 KDR (0.38) ZAP70KDRCCNA2CDK2CCNA1
SCHEMBL3363322 0.89 ZAP70 (0.38) ZAP70SYKPTK2
SCHEMBL3359250 0.89 ZAP70 (0.53) ZAP70SYKJAK2ABL1
SCHEMBL3362708 0.85 ZAP70 (0.49) ZAP70KDRCCNA2CDK2SYK
SCHEMBL3360152 0.81 ZAP70 (0.64) ZAP70SYKABL1
SCHEMBL3359784 0.80 ZAP70 (0.51) ZAP70SYKABL1
SCHEMBL3359512 0.80 ZAP70 (0.51) ZAP70KDRSYK
SCHEMBL3362654 0.79 ZAP70 (0.39) ZAP70SYK
SCHEMBL3360818 0.79 SYK (0.42) ZAP70CCNA2CDK2SYKJAK2

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
EP-2238137-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-10-13 EP disclosed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO disclosed