SCHEMBL11608397

SCHEMBL11608397

CSc1nc2cc(C)nn2c2ncccc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
RXFP1 Q9HBX9 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTR6 P50406 3/20 0.36
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.35
PDE10A Q9Y233 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MAOB P27338 1/20 0.33
KDM4D Q6B0I6 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL11604271 0.80 HTT (0.39) KMT2AKDM4EALDH1A1HTTMEN1
SCHEMBL11605005 0.80 NPC1 (0.38) KMT2ARXFP1ALDH1A1HTTMEN1
SCHEMBL11605000 0.78 HTR6 (0.36) KMT2AKDM4EALDH1A1NPSR1HTR6
SCHEMBL11595463 0.72 KMT2A (0.43) KMT2ARXFP1KDM4EALDH1A1NPSR1
SCHEMBL21917609 0.68 L3MBTL1 (0.42) RXFP1KDM4EALDH1A1HTTPDE10A
SCHEMBL11431652 0.65 KMT2A (0.35) KMT2ARXFP1KDM4EALDH1A1NPSR1
SCHEMBL16695720 0.65 PARP1 (0.63) KMT2AKDM4EALDH1A1MEN1KDM4D
SCHEMBL20561458 0.64 PDE10A (0.36) KDM4EALDH1A1HTTPDE10AL3MBTL1
SCHEMBL21917537 0.64 KDM4E (0.41) KMT2AKDM4EALDH1A1HTTMEN1
SCHEMBL22520937 0.63 KMT2A (0.53) KMT2AKDM4EALDH1A1NPSR1HTT

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
US-4072680-A Derivatives of pyrazolo[1,5-a]pyrido[3,2-e]pyrimidine E. R. SQUIBB & SONS, INC. (US) 1978-02-07 US disclosed