SCHEMBL9047422

SCHEMBL9047422

Cc1ccc(C#Cn2cnc3nccc-3c2O)cc1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM5 P41594 1/20 0.32
PDGFRB P09619 1/20 0.31
KDR P35968 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
SCHEMBL9046222 0.86 MEN1 (0.33) MEN1KMT2A
SCHEMBL9047342 0.86 MEN1 (0.33) MEN1KMT2A
SCHEMBL9471896 0.81 ALDH1A1 (0.34) MEN1KMT2AGRM5
SCHEMBL9045445 0.71 ADORA1 (0.38) PDGFRBKDR
SCHEMBL9471499 0.71 KDM4E (0.37) MEN1KMT2AGRM5
SCHEMBL9471259 0.71 KMT2A (0.37) MEN1KMT2AGRM5
SCHEMBL9480388 0.70 KMT2A (0.37) MEN1KMT2AGRM5
SCHEMBL17525786 0.60 CYP19A1 (0.43) GRM5PDGFRBKDR
SCHEMBL22779082 0.59 GRM5 (0.48) MEN1KMT2AGRM5
SCHEMBL4457730 0.58 GRM5 (0.64) MEN1KMT2AGRM5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0432677-B1 N-(pyrrolo[2,3-d]pyrimidin-3-ylacyl)-glutamic acid derivatives UNIV PRINCETON (US) 1996-03-06 EP disclosed
US-5344932-A N-(pyrrolo(2,3-d)pyrimidin-3-ylacyl)-glutamic acid derivatives TRUSTEES OF PRINCETON UNIVERSITY (US) 1994-09-06 US disclosed
US-5248775-A Pyrrolo(2,3-d)pyrimidines THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1993-09-28 US disclosed
EP-0432677-A1 N-(pyrrolo[2,3-d]pyrimidin-3-ylacyl)-glutamic acid derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1991-06-19 EP disclosed
US-4996206-A Antitumor agent THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1991-02-26 US disclosed