SCHEMBL5386512

SCHEMBL5386512

CCC(O)Cn1ncc(N)c1N

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.35
TSHR P16473 1/20 0.33
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
SLC18A3 Q16572 1/20 0.30
ADORA2A P29274 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
SCHEMBL3946203 0.89 TSHR (0.33) TSHR
SCHEMBL5396044 0.88 TSHR (0.33) TSHR
SCHEMBL5399382 0.88 ADA (0.33) TSHR
SCHEMBL14370814 0.85 ADA (0.39) TSHR
SCHEMBL5386556 0.84 ADORA2A (0.35) ADORA2A
SCHEMBL5390248 0.84 ADORA2A (0.36) CSNK2A1TSHRADORA2A
SCHEMBL5399189 0.83 TSHR (0.32) TSHRHTR2AHTR2CHTR2B
Bromide SCHEMBL5386504 0.82 ADORA2A (0.36) CSNK2A1TSHRADORA2A
SCHEMBL5407292 0.82 THRB (0.32) TSHR
SCHEMBL5391855 0.81 LMNA (0.38) CSNK2A1TSHRHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285136-B2 Diaminopyrazole compounds and the use thereof in the oxidation dyeing of keratinous fibres L'OREAL, SA (FR) 2007-10-23 US disclosed
US-7285136-B2 Diaminopyrazole compounds and the use thereof in the oxidation dyeing of keratinous fibres L'OREAL, SA (FR) 2007-10-23 US disclosed
US-7285136-B2 Diaminopyrazole compounds and the use thereof in the oxidation dyeing of keratinous fibres L'OREAL, SA (FR) 2007-10-23 US disclosed