SCHEMBL30254651

SCHEMBL30254651

COc1ccc2c(C#N)c(N)[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.48
AS3MT Q9HBK9 1/20 0.48
USP20 Q9Y2K6 1/20 0.48
KDM4E B2RXH2 8/20 0.47
ALDH1A1 P00352 5/20 0.47
MAPT P10636 3/20 0.47
HSD17B10 Q99714 3/20 0.47
HPGD P15428 3/20 0.47
GAA P10253 2/20 0.47
USP2 O75604 1/20 0.47
ALOX15 P16050 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PFKFB1 P16118 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
KMT2A Q03164 3/20 0.45
PRKACA P17612 1/20 0.44
PRKACG P22612 1/20 0.44
PRKACB P22694 1/20 0.44
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43

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
SCHEMBL23885417 1.00 NSD2 (0.48) NSD2AS3MTUSP20KDM4EALDH1A1
SCHEMBL25229990 0.88 NSD2 (0.61) NSD2AS3MTKDM4EALDH1A1MAPT
SCHEMBL30052735 0.88 NSD2 (0.61) NSD2AS3MTKDM4EALDH1A1MAPT
SCHEMBL982356 0.84 KDM4E (0.53) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL10097345 0.80 MAOA (0.50) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL5857036 0.80 PFKFB1 (0.67) NSD2AS3MTKDM4EALDH1A1MAPT
SCHEMBL23676484 0.79 KDM4E (0.47) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL23885618 0.79 USP20 (0.51) NSD2AS3MTUSP20KDM4EALDH1A1
SCHEMBL12334854 0.78 KDM4E (0.43) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL23885584 0.78 PLA2G1B (0.46) NSD2AS3MTUSP20KDM4EALDH1A1

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-4125914-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2023-02-08 EP disclosed