SCHEMBL21769443

SCHEMBL21769443

C=C(C)N(CCC)c1cnc(C)cn1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.33

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
SCHEMBL21780689 0.74 HCAR3 (0.46) HCAR3
SCHEMBL16664161 0.71 HCAR3 (0.44) HCAR3
SCHEMBL24731151 0.66
SCHEMBL179289 0.65 AOC3 (0.35) HCAR3
SCHEMBL2629387 0.64 CYP3A4 (0.31)
SCHEMBL46324 0.63 MEN1 (0.37)
SCHEMBL2629283 0.62 HRH3 (0.44) HCAR3
SCHEMBL7993678 0.61 POLB (0.37) HCAR3
SCHEMBL82304 0.61
SCHEMBL20428499 0.60 HCAR3 (0.67) HCAR3

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
EP-3613743-A1 PROCESSES FOR THE PREPARATION OF 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE DERIVATIVES Intellikine, LLC (US) 2020-02-26 EP disclosed