SCHEMBL18959154

SCHEMBL18959154

CNC(=O)/C(C#N)=C/C1(C)COC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ATM Q13315 1/20 0.33
▸ KMT2A Q03164 1/20 0.31
▸ MAPK1 P28482 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL18959127 0.81 EPHX1 (0.30) —
SCHEMBL15711192 0.79 EGFR (0.36) MAPTLMNARAB9APOLBSMN1; SMN2
SCHEMBL18960362 0.79 — —
SCHEMBL18959114 0.79 — —
SCHEMBL15711190 0.79 EGFR (0.36) MAPTLMNARAB9APOLBSMN1; SMN2
SCHEMBL18959132 0.77 — —
SCHEMBL19421183 0.77 MEN1 (0.40) MAPTALDH1A1KMT2A
SCHEMBL19427232 0.72 — —
SCHEMBL23942213 0.71 — —
SCHEMBL18845455 0.71 — —

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
WO-2018103060-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2018-06-14 — — WO disclosed
WO-2017100668-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2017-06-15 — — WO disclosed
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