SCHEMBL3913833

SCHEMBL3913833

Fc1cc(-c2cnc(Nc3ccccc3)nc2)ccc1OCc1ccccc1.Oc1ccc(-c2cnc(Nc3ccccc3)nc2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 1/20 0.46
▸ LRRK2 Q5S007 5/20 0.44
▸ CDK2 P24941 3/20 0.43
▸ CDK9 P50750 3/20 0.43
▸ CTSA P10619 1/20 0.41
▸ GFRA3 O60609 2/20 0.41
▸ RET P07949 2/20 0.41
▸ SLK Q9H2G2 2/20 0.40
▸ STK10 O94804 1/20 0.40
▸ CCNT1 O60563 1/20 0.40
▸ CCNA2 P20248 1/20 0.40
▸ CCNA1 P78396 1/20 0.40
▸ MGLL Q99685 2/20 0.39
▸ SYK P43405 1/20 0.39
▸ PRMT5 O14744 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ MAOB P27338 1/20 0.38

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
SCHEMBL3921730 0.93 CDK2 (0.47) ERN1LRRK2CDK2CDK9CTSA
SCHEMBL2862184 0.86 GFRA3 (0.51) CDK2GFRA3RETSLKMGLL
SCHEMBL8993237 0.85 ERN1 (0.58) ERN1CTSAMGLLMCL1
SCHEMBL3918169 0.83 CYP11B1 (0.43) ERN1LRRK2CDK2CDK9CTSA
SCHEMBL2859316 0.78 PDGFRB (0.51) CDK2GFRA3RETSLKSYK
SCHEMBL8615551 0.76 ERN1 (0.49) ERN1LRRK2CTSAPRMT5MCL1
SCHEMBL8614216 0.76 ERN1 (0.49) ERN1LRRK2CTSAPRMT5
SCHEMBL21162496 0.76 ERN1 (0.59) ERN1CTSAMGLLMCL1
SCHEMBL27756247 0.75 ERN1 (0.51) ERN1LRRK2CTSAPRMT5
SCHEMBL3920789 0.75 LRRK2 (0.42) ERN1LRRK2CDK2CDK9CTSA

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
Send feedback