SCHEMBL27944767

SCHEMBL27944767

c1ccc(CN(Cc2ccccc2)c2ccc3ccccc3n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 1/20 0.60
▸ NCF1 P14598 2/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ OPRK1 P41145 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ OPRM1 P35372 1/20 0.42
▸ TMEM97 Q5BJF2 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ CHRM2 P08172 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ DRD1 P21728 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ HTR2A P28223 1/20 0.41

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
SCHEMBL22775885 0.82 PTK2 (0.58) PTK2NCF1MEN1KMT2ASMN1; SMN2
SCHEMBL28081340 0.78 NCF1 (0.46) PTK2NCF1L3MBTL1MEN1KMT2A
SCHEMBL4268344 0.77 NCF1 (0.62) PTK2NCF1L3MBTL1LMNANOS2
SCHEMBL14980561 0.76 PTK2 (1.00) PTK2NCF1L3MBTL1MEN1KMT2A
SCHEMBL13701721 0.76 NCF1 (0.60) PTK2NCF1MEN1KMT2ASLC6A2
SCHEMBL7420908 0.75 GBA1 (0.61) PTK2NCF1MAPK1GBA1NPC1
SCHEMBL12014904 0.73 NCF1 (0.68) PTK2NCF1MEN1KMT2AKDM4E
SCHEMBL1591908 0.73 NCF1 (0.52) PTK2NCF1L3MBTL1MEN1KMT2A
SCHEMBL14211037 0.73 CYP2C19 (0.46) PTK2L3MBTL1KMT2ASMN1; SMN2OPRK1
SCHEMBL27980157 0.73 HDAC1 (0.68) L3MBTL1MEN1KMT2ASMN1; SMN2OPRK1

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
CN-103391938-B Pyrido [2,3-B] pyrazines derivatives and therepic use thereof MERCK PATENT GMBH (DE) 2016-02-24 — — CN disclosed
CN-103391938-A Pyrido [2, 3 - b] pyrazine derivatives and their therapeutical uses MERCK PATENT GMBH 2013-11-13 — — CN disclosed
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