SCHEMBL9045295

SCHEMBL9045295

COC(=O)c1ccc(CCn2cnc3nc(C)cc-3c2O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
YTHDC1 Q96MU7 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP4A11 Q02928 2/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
CKS1B P61024 1/20 0.41
SKP2 Q13309 1/20 0.41

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
SCHEMBL9045484 0.84 CYP4A11 (0.45) RAB9AYTHDC1CYP1A2CYP3A4CYP2C9
SCHEMBL9045449 0.83 YTHDC1 (0.39) RAB9AYTHDC1CYP1A2CYP3A4CYP2C9
SCHEMBL9045252 0.83 MAPT (0.39) YTHDC1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9046639 0.74 EP300 (0.40) YTHDC1MEN1KMT2ATP53EP300
SCHEMBL9471023 0.73 KMT2A (0.43) GAARAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL9045926 0.70 YTHDC1 (0.45) RAB9AYTHDC1CYP1A2CYP3A4CYP2C9
SCHEMBL12537305 0.69 YTHDC1 (0.64) YTHDC1CYP4A11EP300
SCHEMBL9045967 0.68 SMN1; SMN2 (0.39) RAB9AMAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL2881295 0.68 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C9CYP2C19CYP4A11
SCHEMBL9045704 0.68 HSP90AA1 (0.45) GAARAB9ACYP1A2CYP3A4CYP2C9

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