SCHEMBL3360279

SCHEMBL3360279

COc1nc(-c2cc3c(c(Nc4ccc(N5CCOCC5)cc4)n2)C(=O)[N]C=C3)cnc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.41
NTRK1 P04629 3/20 0.41
YES1 P07947 3/20 0.41
KDR P35968 3/20 0.41
JAK2 O60674 3/20 0.40
PKMYT1 Q99640 1/20 0.39
SYK P43405 3/20 0.39
CD63 P08962 2/20 0.39
CSF1R P07333 2/20 0.38
PIM1 P11309 1/20 0.37
MAPK1 P28482 1/20 0.37
HIPK1 Q86Z02 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
AURKA O14965 2/20 0.37
ZAP70 P43403 3/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL3362540 0.89 SYK (0.44) ABL1NTRK1YES1KDRJAK2
SCHEMBL3359607 0.84 KDR (0.41) ABL1NTRK1YES1KDRJAK2
SCHEMBL3358758 0.83 SYK (0.44) JAK2PKMYT1SYKCD63MAPK1
SCHEMBL3362714 0.83 ABL1 (0.45) ABL1NTRK1YES1KDRJAK2
SCHEMBL3358947 0.83 CYP2C19 (0.40) ABL1NTRK1YES1KDRJAK2
SCHEMBL3359543 0.83 ZAP70 (0.40) KDRCSF1RZAP70STAT6JAK3
SCHEMBL3358312 0.81 MAPT (0.46) ABL1KDRJAK2SYKCD63
SCHEMBL3359647 0.81 MAPT (0.43) SYKCD63MAPK1AURKAZAP70
SCHEMBL27806120 0.81 ABL1 (0.41) ABL1NTRK1YES1KDRJAK2
SCHEMBL3358598 0.81 SYK (0.43) ABL1KDRJAK2SYKCD63

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 claimed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO claimed