SCHEMBL3345876

SCHEMBL3345876

Cc1cccc(C#CCCc2ccn3nccc3n2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 18/20 0.53
TGFBR1 P36897 1/20 0.40
PDE10A Q9Y233 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
THPO P40225 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
GRIN2B Q13224 1/20 0.38

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
SCHEMBL3346856 0.84 GRM5 (0.52) GRM5KDM4EMEN1NPC1ALDH1A1
SCHEMBL3347176 0.84 GRM5 (0.40) GRM5PDE10A
SCHEMBL3351211 0.82 GRM5 (0.56) GRM5TGFBR1PDE10ACYP1A2
SCHEMBL3352981 0.81 GRM5 (0.41) GRM5PDE10ACYP1A2CYP2D6
SCHEMBL3347361 0.81 GRM5 (0.36) GRM5PDE10A
SCHEMBL3346732 0.80 DYRK1A (0.36) GRM5TGFBR1PDE10A
SCHEMBL3346766 0.80 GRM5 (0.53) GRM5TGFBR1PDE10AKDM4EMEN1
SCHEMBL3346840 0.80 GRM5 (0.36) GRM5TGFBR1PDE10ASMN1; SMN2
SCHEMBL3347669 0.79 PDE10A (0.35) GRM5TGFBR1PDE10A
SCHEMBL3347219 0.78 GRM5 (0.37) GRM5PDE10AKDM4ENPC1CYP1A2

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
WO-2010063487-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2010-06-10 WO claimed
WO-2010063487-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2010-06-10 WO disclosed