SCHEMBL24070543

SCHEMBL24070543

CNC1CNc2ccnn2C1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
HRH4 Q9H3N8 5/20 0.31
CCNT1 O60563 1/20 0.31
CDK7 P50613 1/20 0.31
CDK9 P50750 1/20 0.31
CCNH P51946 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL25239947 0.77 BTK (0.33)
SCHEMBL24439554 0.76
SCHEMBL23541705 0.70 NLRP3 (0.34) DRD2DRD3CCNT1CDK7CDK9
SCHEMBL25241414 0.70 GABRP (0.39)
SCHEMBL23541720 0.70 NLRP3 (0.34) DRD2DRD3CCNT1CDK7CDK9
Hydrochloric Acid SCHEMBL25234883 0.67
SCHEMBL25280086 0.66 GAA (0.40)
SCHEMBL25233396 0.64 BTK (0.37)
SCHEMBL20412497 0.61 HRH4 (0.33) DRD2DRD3HRH4HRH3
SCHEMBL24439814 0.58 DRD2 (0.36) DRD2DRD3

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-2021239643-A1 BENZYLAMINE DERIVATIVES AS DDRS INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2021-12-02 WO disclosed