SCHEMBL14274283

SCHEMBL14274283

CNc1nc2cc(N=O)ccc2n1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.44
▸ MAPT P10636 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ HDAC6 Q9UBN7 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ RAF1 P04049 3/20 0.37
▸ BRAF P15056 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ GAA P10253 2/20 0.35
▸ MT-CO1 P00395 1/20 0.35
▸ MT-CO2 P00403 1/20 0.35
▸ NAMPT P43490 1/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL28158713 0.75 ACSS2 (0.39) RAB9AMAPTALDH1A1HTTHDAC6
SCHEMBL209641 0.75 KDM4E (0.46) RAB9AMAPTALDH1A1HTTKDM4E
SCHEMBL25080562 0.75 NPC1 (0.44) RAB9AMAPTALDH1A1HDAC6KDM4E
SCHEMBL16042846 0.75 MAPK1 (0.51) RAB9AMAPTALDH1A1HTTHDAC6
Hydrochloric Acid SCHEMBL28501510 0.73 KDM4E (0.43) RAB9AMAPTALDH1A1HDAC6KDM4E
SCHEMBL209281 0.72 ALDH1A1 (0.54) RAB9AMAPTALDH1A1HTTKDM4E
SCHEMBL7850067 0.70 RAB9A (0.62) RAB9AMAPTALDH1A1HTTKDM4E
SCHEMBL25080570 0.69 ATM (0.54) RAB9AMAPTALDH1A1HTTKDM4E
Hydrochloric Acid SCHEMBL28428173 0.68 RAB9A (0.61) RAB9AMAPTALDH1A1HTTKDM4E
SCHEMBL28156519 0.68 ALDH1A1 (0.50) RAB9AMAPTALDH1A1HTTKDM4E

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
US-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 — — US disclosed
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