SCHEMBL4354692

SCHEMBL4354692

C=CCn1cc(C(N)=O)c(N)n1.C=CCn1ncc(C(N)=O)c1N

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
RIPK2 O43353 1/20 0.35
ALDH1A1 P00352 1/20 0.32
LMNA P02545 2/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 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
SCHEMBL2078237 0.87 BTK (0.33) TSHRALDH1A1LMNA
SCHEMBL2077100 0.87 TSHR (0.54) TSHRRIPK2ALDH1A1LMNARAB9A
SCHEMBL27714943 0.75 ALDH1A1 (0.42) TSHRRIPK2ALDH1A1LMNARAB9A
SCHEMBL27714942 0.75 ALDH1A1 (0.33) TSHRALDH1A1SMN1; SMN2
SCHEMBL27715082 0.74 ALDH1A1 (0.32) ALDH1A1
SCHEMBL27714945 0.74 ALDH1A1 (0.44) TSHRRIPK2ALDH1A1LMNASMN1; SMN2
SCHEMBL5499546 0.69 TSHR (0.56) TSHRRIPK2ALDH1A1LMNARAB9A
SCHEMBL27106085 0.69 NPC1 (0.61) TSHRALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL4350697 0.68 PKM (0.41)
SCHEMBL10389112 0.68 TSHR (0.37) TSHRRIPK2ALDH1A1LMNASMN1; SMN2

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-2024360-A2 SUBSTITUTED PYRAZOLOPYRIMIDINES Cephalon, Inc. (US) 2009-02-18 EP disclosed
WO-2008063232-A2 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON, INC. (US) 2008-05-29 WO disclosed