SCHEMBL16466061

SCHEMBL16466061

COc1nc(N2CCNCC2)ncc1C(=O)Nc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 17/20 0.57
▸ MAPT P10636 3/20 0.46
▸ POLB P06746 1/20 0.45

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
SCHEMBL25439487 0.79 BCL6 (0.41) PTPN11MAPTPOLB
Hydrochloric Acid SCHEMBL31148435 0.79 BCL6 (0.40) PTPN11MAPTPOLB
SCHEMBL14746664 0.77 PTPN11 (0.53) PTPN11POLB
SCHEMBL31485489 0.74 MAPT (0.45) PTPN11MAPTPOLB
SCHEMBL25419558 0.74 MAPT (0.45) PTPN11MAPTPOLB
SCHEMBL5800464 0.72 LCK (0.45) —
SCHEMBL16671809 0.72 MEN1 (0.52) POLB
SCHEMBL4126532 0.72 HTR7 (0.48) PTPN11MAPT
SCHEMBL31485521 0.72 MAT2A (0.47) PTPN11MAPTPOLB
Hydrochloric Acid SCHEMBL25213549 0.71 MAT2A (0.47) PTPN11MAPTPOLB

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-2903970-A2 SUBSTITUTED PYRIMIDINYL KINASE INHIBITORS Portola Pharmaceuticals, Inc. (US) 2015-08-12 — — EP disclosed
WO-2014058921-A2 SUBSTITUTED PYRIMIDINYL KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2014-04-17 — — WO disclosed
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