SCHEMBL4008337

SCHEMBL4008337

O=C(O)Cn1ccc2c(Cl)ncnc21

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.47
SLC22A12 Q96S37 1/20 0.47
FGFR1 P11362 2/20 0.46
FGFR4 P22455 2/20 0.46
P2RX7 Q99572 2/20 0.41
RHEB Q15382 1/20 0.39
KMT2A Q03164 1/20 0.38
HDAC6 Q9UBN7 3/20 0.36
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
BCL6 P41182 1/20 0.35
PTGS2 P35354 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
SCHEMBL28194794 0.83 SLC22A12 (0.42) NOTUMSLC22A12FGFR1FGFR4P2RX7
SCHEMBL21137545 0.82 NOTUM (0.43) NOTUMSLC22A12FGFR1FGFR4P2RX7
SCHEMBL28112933 0.81 NOTUM (0.43) NOTUMSLC22A12FGFR1FGFR4PTGS2
SCHEMBL3257655 0.81 CFD (0.45) NOTUM
SCHEMBL6703844 0.80 MAPT (0.43) NOTUMSLC22A12FGFR1FGFR4P2RX7
SCHEMBL21367167 0.80 SLC22A12 (0.44) NOTUMSLC22A12FGFR1FGFR4P2RX7
SCHEMBL4014331 0.79 HDAC6 (0.41) NOTUMSLC22A12FGFR1FGFR4P2RX7
SCHEMBL19208537 0.79 NOTUM (0.42) NOTUMKMT2APTGS2
SCHEMBL15600230 0.78 HDAC1 (0.48) P2RX7RHEBKMT2AHDAC6HDAC4
SCHEMBL29781672 0.78 ENPP3 (0.49) NOTUMFGFR1FGFR4RHEBKMT2A

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