SCHEMBL8559938

SCHEMBL8559938

CNc1nc(C)nc(S)c1C#N

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 6/20 0.34
GAA P10253 3/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ADORA1 P30542 2/20 0.32
ADORA2A P29274 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
ADORA2B P29275 1/20 0.31
LMNA P02545 1/20 0.31
KLK7 P49862 1/20 0.31
PKM P14618 1/20 0.30

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
SCHEMBL13828348 0.77 ALDH1A1 (0.43) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL21048258 0.75 KDM4E (0.34) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL27453318 0.74 ALDH1A1 (0.47) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL27764993 0.69 MEN1 (0.43) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL21686046 0.68 ALDH1A1 (0.40) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL17254265 0.67 CHUK (0.50) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL21277948 0.65 ALDH1A1 (0.39) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL14471354 0.65 ALDH1A1 (0.61) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL15806324 0.64 RXFP1 (0.42) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL10102084 0.63 KDM4E (0.46) MEN1KMT2AALDH1A1KDM4EGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0823908-A1 PYRIDO 2,3-d]PYRIMIDINES FOR INHIBITING PROTEIN TYROSINE KINASE MEDIATED CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1998-02-18 EP disclosed
US-5620981-A ANTICARCINOGENIC AGENTS, ATHEROSCLEROSIS, RESTENOSIS, PSORIASIS WARNER-LAMBERT COMPANY (US) 1997-04-15 US disclosed
WO-1996034867-A1 PYRIDO[2,3-d]PYRIMIDINES FOR INHIBITING PROTEIN TYROSINE KINASE MEDIATED CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1996-11-07 WO disclosed