SCHEMBL16082979

SCHEMBL16082979

Cc1ccc(-c2nn(C3CCCN(Cc4ccccc4)C3)c3ncnc(N)c23)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 15/20 0.62
▸ EGFR P00533 5/20 0.60
▸ LCK P06239 2/20 0.56
▸ LYN P07948 1/20 0.56
▸ KIT P10721 1/20 0.55
▸ FLT3 P36888 1/20 0.55
▸ ITK Q08881 2/20 0.53
▸ NUDT14 O95848 1/20 0.53
▸ NUDT5 Q9UKK9 1/20 0.53

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
SCHEMBL16078937 0.89 BTK (0.73) BTKEGFRLCKLYNKIT
SCHEMBL16075647 0.89 BTK (0.73) BTKEGFRLCKLYNKIT
SCHEMBL16082981 0.81 BTK (0.69) BTKEGFRLCKLYNKIT
SCHEMBL23226083 0.81 BTK (0.74) BTKEGFRLCKLYNKIT
SCHEMBL23226086 0.81 BTK (0.74) BTKEGFRLCKLYNKIT
SCHEMBL13063876 0.80 LCK (0.69) BTKEGFRLCKLYN
SCHEMBL30353041 0.79 BTK (0.71) BTKEGFRLCKLYNKIT
SCHEMBL12713510 0.79 BTK (0.78) BTKEGFRLCKLYNKIT
SCHEMBL6430702 0.78 BTK (0.76) BTKEGFRLCKLYNITK
SCHEMBL28685158 0.78 BTK (0.75) BTKEGFRLCKLYNKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014139970-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MEDICAMENT JANSSEN PHARMACEUTICA NV (BE) 2014-09-18 — — WO disclosed
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