SCHEMBL18024065

SCHEMBL18024065

CCCc1nc(-c2nc3ccc(-c4cncc(NC(=O)C(=O)CC)c4)cc3o2)[nH]c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 11/20 0.39
▸ NPC1 O15118 10/20 0.39
▸ KDM4E B2RXH2 11/20 0.36
▸ ALDH1A1 P00352 10/20 0.36
▸ HSD17B10 Q99714 10/20 0.36
▸ SMN1; SMN2 Q16637 9/20 0.36
▸ HPGD P15428 8/20 0.36
▸ MAPT P10636 5/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ SAE1 Q9UBE0 1/20 0.35
▸ UBA2 Q9UBT2 1/20 0.35
▸ TP53 P04637 3/20 0.35
▸ GAA P10253 1/20 0.35
▸ CASP3 P42574 3/20 0.34
▸ SENP8 Q96LD8 3/20 0.34
▸ SENP7 Q9BQF6 3/20 0.34
▸ SENP6 Q9GZR1 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ GLA P06280 1/20 0.33

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
SCHEMBL17969409 0.84 PTPN5 (0.39) RAB9ANPC1KDM4EALDH1A1HSD17B10
Trifluoroacetic Acid SCHEMBL17969346 0.81 MET (0.38) RAB9ANPC1KDM4EALDH1A1HSD17B10
SCHEMBL17969438 0.73 PTPN5 (0.39) RAB9ANPC1KDM4EALDH1A1HSD17B10
SCHEMBL17969349 0.71 ALDH1A1 (0.56) RAB9ANPC1KDM4EALDH1A1HSD17B10
Trifluoroacetic Acid SCHEMBL17969433 0.70 MET (0.37) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL17969417 0.66 CYP1A2 (0.42) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL17969344 0.66 PIK3CG (0.46) RAB9ANPC1KDM4EALDH1A1HSD17B10
SCHEMBL18595681 0.65 CYP11B2 (0.43) RAB9ANPC1KDM4EALDH1A1HSD17B10
SCHEMBL17969403 0.64 ROCK2 (0.40) RAB9ANPC1KDM4EALDH1A1HSD17B10
Trifluoroacetic Acid SCHEMBL17969436 0.64 PIK3CA (0.40) MAPTTP53

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
WO-2016130501-A1 AZA-HETEROARYL COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION (US) 2016-08-18 — — WO disclosed
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