SCHEMBL9045154

SCHEMBL9045154

Cc1nc2ncn(CCc3ccc(F)cc3)c(O)c-2c1OC(=O)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
KMT2A Q03164 2/20 0.33
KDM5A P29375 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
RAB9A P51151 3/20 0.32
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 2/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MGAT2 Q10469 1/20 0.32
MEN1 O00255 1/20 0.32
MCHR1 Q99705 1/20 0.31
ELANE P08246 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
MITF O75030 1/20 0.31
HTT P42858 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
SCHEMBL9048520 0.92 MAPT (0.32) MAPTKMT2ATP53TSHRGAA
SCHEMBL9046199 0.90 ELANE (0.36) MAPTKMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL9345121 0.90 CNOT7 (0.35) KMT2AALDH1A1MEN1ELANEHTT
SCHEMBL9341477 0.89 YTHDC1 (0.38) SMN1; SMN2RAB9AALDH1A1NPC1TP53
SCHEMBL9776047 0.85 NPC1 (0.37) MAPTKMT2AKDM5AKDM5BSMN1; SMN2
SCHEMBL9776056 0.77 NPC1 (0.31) MAPTKMT2AALDH1A1NPC1GAA
SCHEMBL9045924 0.77 MAPT (0.33) MAPTKMT2A
SCHEMBL9776223 0.76 MAPT (0.38) MAPTKMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL9776028 0.75 KMT2A (0.39) KMT2ASMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL9776194 0.74 NPC1 (0.38) MAPTKMT2ASMN1; SMN2RAB9AALDH1A1

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 3 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
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