SCHEMBL20037681

SCHEMBL20037681

CC(C)c1ccc(CN2CC(O)C2)cn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 2/20 0.42
▸ WDR77 Q9BQA1 2/20 0.42
▸ GRIN2B Q13224 1/20 0.40
▸ PDCD1 Q15116 3/20 0.39
▸ CD274 Q9NZQ7 3/20 0.39
▸ NR1H2 P55055 1/20 0.39
▸ NR1H3 Q13133 1/20 0.39
▸ LTA4H P09960 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ PANK3 Q9H999 2/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ S1PR1 P21453 1/20 0.36
▸ S1PR5 Q9H228 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ATM Q13315 1/20 0.36

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
SCHEMBL20037551 0.86 ALDH1A1 (0.55) LTA4H
SCHEMBL20203580 0.85 ALDH1A1 (0.50) PRMT5WDR77PDCD1CD274LTA4H
SCHEMBL4547913 0.80 HRH3 (0.50) PRMT5WDR77HRH3
SCHEMBL12028959 0.80 HRH3 (0.47) PRMT5WDR77CD274PANK3HRH3
SCHEMBL18291572 0.80 BRD4 (0.45) PDCD1CD274LTA4HBRD4MEN1
SCHEMBL12041186 0.78 HRH3 (0.45) PRMT5WDR77NR1H2NR1H3LTA4H
SCHEMBL25896863 0.78 HRH3 (0.53) HRH3MEN1KMT2A
SCHEMBL20203465 0.77 HRH3 (0.50) PRMT5WDR77LTA4HHRH3MEN1
SCHEMBL17660303 0.77 LMNA (0.50) PRMT5WDR77HRH3MEN1KMT2A
SCHEMBL20203451 0.77 ALDH1A1 (0.51) PRMT5WDR77MEN1KMT2AATM

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
EP-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 — — EP disclosed
Send feedback