SCHEMBL19071578

SCHEMBL19071578

Cc1cc(C)nc(-c2cccc(C3NC(c4ccc5ccccc5c4)=NC(c4ccc5ccccc5c4)N3)c2)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.32
▸ AURKB Q96GD4 1/20 0.32
▸ NISCH Q9Y2I1 1/20 0.31
▸ NR1H4 Q96RI1 1/20 0.31
▸ MEN1 O00255 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ HPN P05981 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ ABCB1 P08183 1/20 0.30
▸ ABCC1 P33527 1/20 0.30
▸ ABCG2 Q9UNQ0 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
SCHEMBL27382120 0.84 NISCH (0.39) NISCHNR1H4NPC1CYP1A2MAPT
SCHEMBL27382317 0.82 HSD17B1 (0.35) NISCHMEN1KMT2ANPC1CYP1A2
SCHEMBL27381887 0.80 P2RX7 (0.38) NISCHMEN1KMT2ANPC1CYP1A2
SCHEMBL24890270 0.78 ALDH1A1 (0.31) MAPT
SCHEMBL23947222 0.78 MEN1 (0.34) NISCHMEN1KMT2ACYP1A2EGFR
SCHEMBL19534213 0.77 NISCH (0.35) NISCHNR1H4CYP1A2
SCHEMBL24886689 0.77 CDC14B (0.32) —
SCHEMBL27382290 0.76 P2RX7 (0.33) MEN1KMT2ANPC1CYP1A2CYP2C9
SCHEMBL18561425 0.76 P2RX7 (0.39) NISCHMEN1KMT2ANPC1CYP1A2
SCHEMBL24890301 0.75 ALDH1A1 (0.32) MAPT

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-3188277-A1 ORGANIC LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2017-07-05 — — EP disclosed
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