SCHEMBL20524316

SCHEMBL20524316

Brc1c[nH]nc1C1CNC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.41
HTR2C P28335 4/20 0.41
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 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
SCHEMBL16416156 0.78
SCHEMBL26122897 0.65 HTR2A (0.33) HTR2AHTR2CCHRNA4
SCHEMBL27144340 0.65 KDM4E (0.35)
SCHEMBL12027329 0.64 OPRM1 (0.42) HTR2AHTR2CCHRNB2CHRNA4CHRNB4
SCHEMBL21001854 0.63 MAPK8 (0.30)
SCHEMBL3469250 0.63 MAPK8 (0.30)
Hydrochloric Acid SCHEMBL2595722 0.63 OPRM1 (0.41) HTR2AHTR2CCHRNB2CHRNA4CHRNB4
SCHEMBL21193357 0.62 HTR2A (0.40) HTR2AHTR2C
SCHEMBL7703222 0.62 ABL1 (0.34) HTR2AHTR2CCHRNB2CHRNA4CHRNB4
Hydrochloric Acid SCHEMBL2596286 0.61 ABL1 (0.33) CHRNB2CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3601284-A1 NAPHTHYRIDINES AS INHIBITORS OF HPK1 H. Hoffnabb-La Roche Ag (CH) 2020-02-05 EP disclosed
WO-2018183956-A1 NAPHTHYRIDINES AS INHIBITORS OF HPK1 GENENTECH, INC. (US) 2018-10-04 WO disclosed