SCHEMBL20649146

SCHEMBL20649146

CC1(C)Cc2cnc(N)nc2-c2[nH]nc(C(=O)NC3NC(C4(C(=O)N5CCC(N6CCCCC6)CC5)CC4)=CS3)c21

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CALCA P06881 2/20 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
SCHEMBL20649199 0.89 ATR (0.32)
SCHEMBL20649084 0.85 ACVR1 (0.35)
SCHEMBL20649343 0.84
SCHEMBL30183497 0.83 ATR (0.31) CALCA
SCHEMBL20649145 0.83 ATR (0.31) CALCA
SCHEMBL20648988 0.81
SCHEMBL20649153 0.81 LRRK2 (0.39)
SCHEMBL30183348 0.81 LRRK2 (0.39)
SCHEMBL20649038 0.80
SCHEMBL20649159 0.80 LRRK2 (0.38)

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-2019011715-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES AS CHOLINE KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2019-01-17 WO disclosed