SCHEMBL6616899

SCHEMBL6616899

C[C](C)Cc1ccc2[nH]c(-c3ccccn3)nc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CBFB Q13951 11/20 0.60
▸ METAP2 P50579 8/20 0.58
▸ METAP1 P53582 6/20 0.58
▸ NPC1 O15118 6/20 0.57
▸ RAB9A P51151 6/20 0.57
▸ PKM P14618 4/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ LMNA P02545 3/20 0.57
▸ HPGD P15428 3/20 0.57
▸ MTOR P42345 1/20 0.57
▸ KDM4E B2RXH2 3/20 0.57
▸ MAPT P10636 2/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ TP53 P04637 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ RUNX1 Q01196 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL19970738 0.86 CBFB (0.58) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL32660737 0.85 CBFB (0.80) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL125118 0.85 CBFB (0.80) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL13675150 0.85 CBFB (0.62) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL23704308 0.83 METAP2 (0.61) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL124343 0.83 CBFB (0.80) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL29994214 0.83 METAP2 (0.61) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL17525961 0.82 METAP2 (0.60) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL19997116 0.80 METAP1 (0.57) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL124267 0.78 CBFB (0.78) CBFBMETAP2METAP1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1418916-A1 2-AMINO-4-HETEROARYLAMINOPYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Amgen Inc. (US) 2004-05-19 — — EP disclosed
WO-2003018022-A1 2-AMINO-4-HETEROARYLAMINOPYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AMGEN INC. (US) 2003-03-06 — — WO disclosed
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