SCHEMBL4007971

SCHEMBL4007971

O=C(O)Cn1cc(Br)c2c(-c3ccccc3)ncnc21

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.48
P2RX7 Q99572 1/20 0.40
JAK2 O60674 2/20 0.39
JAK3 P52333 2/20 0.39
FGFR1 P11362 1/20 0.38
FGFR4 P22455 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALOX15 P16050 1/20 0.38
SRC P12931 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TEK Q02763 1/20 0.36
VCP P55072 1/20 0.35
GRIN2B Q13224 1/20 0.35

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
SCHEMBL13770142 0.85 JAK2 (0.48) JAK2JAK3SRCKDM4EALDH1A1
SCHEMBL4006132 0.79 P2RX7 (0.43) PTGS2P2RX7FGFR1FGFR4SRC
SCHEMBL4005527 0.79 MAPT (0.44)
SCHEMBL23885536 0.78 ADK (0.43) SRCALDH1A1TEK
SCHEMBL4005517 0.78 ADK (0.42) P2RX7FGFR1FGFR4SRC
SCHEMBL4008751 0.76 CSNK2A2 (0.35) P2RX7ALOX15SRCKDM4EALDH1A1
SCHEMBL4007142 0.75 FLT4 (0.43) PTGS2HSD17B10SRCKDM4EALDH1A1
SCHEMBL4014223 0.73 HTT (0.42) ALOX15KDM4EALDH1A1
SCHEMBL4008412 0.68 CSNK2A2 (0.38) PTGS2KDM4EALDH1A1
SCHEMBL23885118 0.67 SRC (0.55) SRCTEK

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-2009080682-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-07-02 WO disclosed