SCHEMBL19005564

SCHEMBL19005564

c1cc2n3c(nn2n1)CNCC3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.32
HTR2A P28223 2/20 0.32
CXCR4 P61073 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
ADRB2 P07550 1/20 0.30
NCF1 P14598 1/20 0.30
PLD1 Q13393 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
SCHEMBL19005531 0.67
SCHEMBL19005565 0.63 KDM4E (0.30) KDM4E
SCHEMBL27957909 0.62 MCHR1 (0.35) HTR2CHTR2AKDM4EADRB2NCF1
SCHEMBL22314692 0.61 SOD3 (0.33) HTR2C
SCHEMBL17687467 0.61 GSK3B (0.36) HTR2CHTR2A
SCHEMBL708722 0.61 CHRNB2 (0.36) HTR2CHTR2A
SCHEMBL19005547 0.60
SCHEMBL108722 0.60 GSK3B (0.42) KDM4ECYP1A2MAPK1HSD17B10ADRB2
SCHEMBL14863278 0.60 HPGD (0.55) HTR2AKDM4EMEN1MAPTMAPK1
SCHEMBL24656037 0.60 GSK3B (0.32) HTR2CHTR2A

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-2017101796-A1 PHTHALAZINONE DERIVATIVE, AND PREPARATION METHOD AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2017-06-22 WO disclosed