SCHEMBL3918169

SCHEMBL3918169

Fc1cc(-c2ccc(Nc3ccccc3)cn2)ccc1OCc1ccccc1.Oc1ccc(-c2ccc(Nc3ccccc3)cn2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 2/20 0.43
▸ CYP11B2 P19099 2/20 0.43
▸ ERN1 O75460 1/20 0.42
▸ LRRK2 Q5S007 3/20 0.40
▸ MCL1 Q07820 1/20 0.39
▸ FEN1 P39748 1/20 0.39
▸ CCNT1 O60563 1/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ CCNA1 P78396 1/20 0.39
▸ CTSA P10619 1/20 0.38
▸ CTSV O60911 2/20 0.38
▸ CTSL P07711 2/20 0.38
▸ SLK Q9H2G2 2/20 0.38
▸ STK10 O94804 1/20 0.38
▸ PRMT5 O14744 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL3920789 0.94 LRRK2 (0.42) CYP11B1CYP11B2ERN1LRRK2FEN1
SCHEMBL3988518 0.87 CYP11B1 (0.47) CYP11B1CYP11B2FEN1CDK2KDM4E
SCHEMBL3913833 0.83 ERN1 (0.46) ERN1LRRK2MCL1CCNT1CCNA2
SCHEMBL8993237 0.80 ERN1 (0.58) CYP11B1CYP11B2ERN1MCL1CTSA
SCHEMBL8616633 0.76 MRGPRX4 (0.48) ERN1FEN1CTSAPRMT5
SCHEMBL387683 0.76 ERN1 (0.44) ERN1LRRK2MCL1FEN1CTSA
SCHEMBL3921730 0.75 CDK2 (0.47) ERN1LRRK2CCNT1CCNA2CDK2
SCHEMBL7793991 0.72 XDH (0.53) ERN1FEN1CTSAPRMT5
SCHEMBL387208 0.72 RORC (0.46) ERN1FEN1
SCHEMBL8613081 0.72 ALOX5AP (0.47) ERN1FEN1CTSAPRMT5

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-2032538-A2 QUINOLINE COMPOUNDS AND METHODS OF USE Array Biopharma, Inc. (US) 2009-03-11 — — EP disclosed
WO-2007146824-A2 QUINOLINE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2007-12-21 — — WO disclosed
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