SCHEMBL3348904

SCHEMBL3348904

Cc1cccc(C#Cc2ccc(-c3ccn4nccc4n3)s2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.46
GRM5 P41594 9/20 0.43
DYRK1A Q13627 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
THPO P40225 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3351404 0.83 DYRK1A (0.42) TGFBR1GRM5DYRK1ANPC1RAB9A
SCHEMBL3346215 0.83 DYRK1A (0.38) TGFBR1DYRK1ASCN5A
SCHEMBL3346724 0.83 GRM5 (0.46) GRM5DYRK1ACYP1A2CYP2D6
SCHEMBL3352946 0.81 DYRK1A (0.40) TGFBR1DYRK1AKMT2ASCN5A
SCHEMBL3346766 0.81 GRM5 (0.53) TGFBR1GRM5NPC1RAB9ASMN1; SMN2
SCHEMBL3346913 0.81 DYRK1A (0.42) TGFBR1GRM5DYRK1ASCN5A
SCHEMBL3346984 0.80 DYRK1A (0.41) TGFBR1GRM5DYRK1ANPC1RAB9A
SCHEMBL3347239 0.79 DYRK1A (0.45) TGFBR1GRM5DYRK1ANPC1RAB9A
SCHEMBL3347616 0.78 DYRK1A (0.40) TGFBR1DYRK1AKDM4EALDH1A1CYP1A2
SCHEMBL3347287 0.78 DYRK1A (0.44) TGFBR1GRM5DYRK1ARAB9AKDM4E

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
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