SCHEMBL28202145

SCHEMBL28202145

O=CNc1cnc2cncc(-c3ccc(Cl)cc3Cl)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.34
SRC P12931 4/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CRHR1 P34998 1/20 0.32
ALPL P05186 1/20 0.32
GUSB P08236 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
TMPRSS4 Q9NRS4 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL28202148 0.79 GSK3A (0.42)
SCHEMBL28202187 0.76 F10 (0.34) SRCALDH1A1NPC1SMN1; SMN2KDM4E
SCHEMBL28202753 0.75 DYRK1A (0.40) ALDH1A1
SCHEMBL28202183 0.75 ERN1 (0.36) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL16432662 0.73 MAP4K4 (0.42) MAPTALPLCNR1SMN1; SMN2MEN1
SCHEMBL28202146 0.72 SLC22A12 (0.44)
SCHEMBL28202190 0.72 ERN1 (0.35)
SCHEMBL19725156 0.69 TDP1 (0.38) F2RL3SRCTDP1MAPTALDH1A1
SCHEMBL28202755 0.69 CYP2C19 (0.46) TDP1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL27918809 0.65 ALDH1A1 (0.44) ALDH1A1LMNAMEN1KMT2AKDM4E

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-105473568-B 1, 7-naphthyridine derivatives 豪夫迈·罗氏有限公司 2018-02-13 CN claimed
CN-105473568-B 1, 7-naphthyridine derivatives 豪夫迈·罗氏有限公司 2018-02-13 CN disclosed