SCHEMBL18978731

SCHEMBL18978731

Nc1ccnc(C2CCOC2)c1N

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACVR2A P27037 1/20 0.34
▸ TGFBR2 P37173 1/20 0.34
▸ MAP3K12 Q12852 2/20 0.33
▸ MBOAT4 Q96T53 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ PRMT5 O14744 1/20 0.32
▸ WDR77 Q9BQA1 1/20 0.32
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PDE10A Q9Y233 4/20 0.31

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
SCHEMBL18978716 0.89 OPRL1 (0.35) PIK3CDPIK3CAPDE10A
SCHEMBL927943 0.79 NCF1 (0.34) —
SCHEMBL15740579 0.76 NCF1 (0.32) —
SCHEMBL15740688 0.76 TDO2 (0.34) —
SCHEMBL30385681 0.76 TDO2 (0.34) —
SCHEMBL5559714 0.75 OPRL1 (0.33) PIK3CDPIK3CAPDE10A
SCHEMBL30873824 0.75 ATR (0.38) ACVR2ATGFBR2MAP3K12PRMT5WDR77
SCHEMBL22411560 0.75 ATR (0.38) ACVR2ATGFBR2MAP3K12PRMT5WDR77
SCHEMBL15740601 0.74 TDO2 (0.36) —
SCHEMBL4142576 0.71 MKNK1 (0.42) —

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3181564-B1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS HOFFMANN LA ROCHE (CH) 2019-09-18 — — EP disclosed
EP-2922851-B1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH INC (US) 2017-07-26 — — EP disclosed
EP-3181564-A1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS Genentech, Inc. (US) 2017-06-21 — — EP disclosed
Send feedback