SCHEMBL22987922

SCHEMBL22987922

Nc1nc2ccccc2c2nc(-c3cscc3O)nn12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 3/20 0.45
CSNK1D P48730 3/20 0.45
ADORA3 P0DMS8 8/20 0.43
ADORA1 P30542 6/20 0.43
ADORA2A P29274 6/20 0.40
ADORA2B P29275 4/20 0.40
CSNK1E P49674 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 2/20 0.40
PIK3CD O00329 1/20 0.40
GMNN O75496 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
THPO P40225 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40

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
SCHEMBL22987943 0.73 PDE10A (0.45) CSNK1A1CSNK1DADORA3ADORA1ADORA2A
SCHEMBL22987825 0.73 CSNK1D (0.59) CSNK1A1CSNK1DADORA3ADORA1ADORA2A
SCHEMBL22987511 0.72 ADORA3 (0.45) CSNK1A1CSNK1DADORA3ADORA1ADORA2A
SCHEMBL24209870 0.71 ADORA3 (0.71) CSNK1A1CSNK1DADORA3ADORA1ADORA2A
SCHEMBL25118862 0.71 CSNK1A1 (0.54) CSNK1A1CSNK1DADORA3ADORA1ADORA2A
SCHEMBL22987662 0.70 ADORA3 (0.46) ADORA3ADORA1ADORA2AADORA2BKDM4E
SCHEMBL18948427 0.69 PDE10A (0.63) ADORA3ADORA1KDM4EMAPK1PDPK1
SCHEMBL743593 0.69 RXFP1 (0.58) ADORA3ADORA1ADORA2ACYP1A2CYP3A4
SCHEMBL22988309 0.68 ADORA3 (0.53) ADORA3ADORA1ADORA2AKDM4EMAPK1
SCHEMBL22988304 0.68 ADORA3 (0.65) ADORA3ADORA1ADORA2AKDM4ECYP1A2

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-2021028382-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2021-02-18 WO disclosed