SCHEMBL30189134

SCHEMBL30189134

c1nc(OCCN2CCCCC2)nc2c1CCNC2

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.49
HSP90AA1 P07900 2/20 0.43
HRH1 P35367 1/20 0.43
HTR2C P28335 1/20 0.41
AXL P30530 1/20 0.38
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
PSMB1 P20618 1/20 0.36
PSMB5 P28074 1/20 0.36
PSMB2 P49721 1/20 0.36

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
SCHEMBL31598280 0.78 HTR2C (0.46) HSP90AA1HTR2CCHRNB2CHRNA4
SCHEMBL28508529 0.74 HRH3 (0.40) HRH3HRH1HTR2CAXL
SCHEMBL30675389 0.74 CHRNB2 (0.44) CHRNB2CHRNA4
SCHEMBL29870817 0.73 HTR2C (0.40) HTR2C
SCHEMBL3389292 0.72 HRH3 (0.58) HRH3HRH1
SCHEMBL28949544 0.72 HTR2C (0.51) HSP90AA1HTR2C
SCHEMBL31598150 0.72 HTR2C (0.46) HTR2C
SCHEMBL14287582 0.69 HRH3 (0.88) HRH3HRH1
Hydrochloric Acid SCHEMBL5093642 0.68 HRH3 (0.86) HRH3HRH1
SCHEMBL26639995 0.68 AXL (0.51) HRH3AXL

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-3710439-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-02-15 EP disclosed