SCHEMBL9045540

SCHEMBL9045540

CC(C)(C)C(=O)Nc1cc2c(O)n(CCc3ccc(F)cc3)cnc-2n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 9/20 0.42
CSNK1E P49674 9/20 0.42
LMNA P02545 1/20 0.38
ADORA1 P30542 1/20 0.38
ABL1 P00519 1/20 0.38
MGAT2 Q10469 1/20 0.37
NPY2R P49146 1/20 0.37
SMO Q99835 1/20 0.36
CNR1 P21554 2/20 0.35
KDM5A P29375 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
NR3C2 P08235 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
SCHEMBL9047416 0.91 ADORA1 (0.38) CSNK1DCSNK1ELMNAADORA1ABL1
SCHEMBL9044712 0.90 ADORA1 (0.38) CSNK1DCSNK1ELMNAADORA1CNR1
SCHEMBL9046321 0.90 ADORA1 (0.46) CSNK1DCSNK1EADORA1
SCHEMBL9046606 0.89 NPC1 (0.42) CSNK1DCSNK1EADORA1ABL1NPY2R
SCHEMBL9045504 0.88 NR3C2 (0.39) LMNAADORA1NR3C2
SCHEMBL9045449 0.88 YTHDC1 (0.39) LMNAADORA1
SCHEMBL9043718 0.80 ATIC (0.43)
SCHEMBL9045922 0.78 TAS1R3 (0.35)
SCHEMBL9471802 0.78 MAPK1 (0.45) LMNAMGAT2KDM5AKDM5B
SCHEMBL9045967 0.76 SMN1; SMN2 (0.39) LMNAMGAT2KDM5AKDM5B

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 4 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