SCHEMBL20037541

SCHEMBL20037541

CC(O)CN1CCN(Cc2ccc(N)nc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 3/20 0.48
▸ MTOR P42345 3/20 0.48
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ CPB2 Q96IY4 2/20 0.41
▸ CACNA1G O43497 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ GABRP O00591 1/20 0.40
▸ GABRD O14764 1/20 0.40
▸ GABRA1 P14867 1/20 0.40
▸ GABRB1 P18505 1/20 0.40
▸ GABRG2 P18507 1/20 0.40
▸ GABRB3 P28472 1/20 0.40
▸ GABRA5 P31644 1/20 0.40
▸ GABRA3 P34903 1/20 0.40
▸ GABRA2 P47869 1/20 0.40
▸ GABRB2 P47870 1/20 0.40
▸ GABRA4 P48169 1/20 0.40

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
SCHEMBL18291397 0.84 PRMT5 (0.44) MEN1KMT2AATMCACNA1GKCNH2
SCHEMBL18291194 0.84 PRMT5 (0.44) MEN1KMT2AATMCACNA1GKCNH2
SCHEMBL20255232 0.84 PRMT5 (0.44) MEN1KMT2AATMCACNA1GKCNH2
SCHEMBL20038466 0.83 MEN1 (0.43) MEN1KMT2AATMCACNA1GKCNH2
SCHEMBL20038144 0.83 MEN1 (0.43) MEN1KMT2AATMCACNA1GKCNH2
SCHEMBL20203391 0.83 PRMT5 (0.47) MEN1KMT2AATMCACNA1GKCNH2
SCHEMBL20038104 0.83 MEN1 (0.43) MEN1KMT2AATMCACNA1GKCNH2
SCHEMBL20203394 0.83 PRMT5 (0.47) MEN1KMT2AATMCACNA1GKCNH2
SCHEMBL18291483 0.82 MEN1 (0.42) PIK3CAMTORMEN1KMT2AATM
SCHEMBL20037545 0.82 HRH3 (0.53) PIK3CAMTORMEN1KMT2AATM

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
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