SCHEMBL3815031

SCHEMBL3815031

NCC1CCC(Cc2c(N)nc(NCCCc3ccccc3)nc2[N+](=O)[O-])CC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 11/20 0.59
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3815033 0.85 PRKCQ (0.57) PRKCQKMT2AMAPTKDM4ELMNA
SCHEMBL3816754 0.82 PRKCQ (0.57) PRKCQKMT2AMAPTKDM4ELMNA
SCHEMBL3812825 0.78 KMT2A (0.57) PRKCQKMT2AMAPTKDM4ELMNA
SCHEMBL13720652 0.74 PRKCQ (1.00) PRKCQ
SCHEMBL13794832 0.72 PRKCQ (1.00) PRKCQ
SCHEMBL4479341 0.71 KMT2A (0.57) PRKCQKMT2AMAPTKDM4ELMNA
SCHEMBL3816247 0.69 PRKCQ (0.57) PRKCQKMT2ANPC1MITFRAB9A
SCHEMBL3818551 0.69 SMN1; SMN2 (0.47) PRKCQKMT2AMAPTLMNANPC1
SCHEMBL3819073 0.69 PKM (0.48) PRKCQKMT2AMAPTNPC1MITF
SCHEMBL3812387 0.69 PRKCQ (0.51) PRKCQKMT2AMAPTPOLBMAPK1

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-1590334-B1 2,4-DIAMINOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMA (US) 2009-08-19 EP disclosed