SCHEMBL8566574

SCHEMBL8566574

CCCCOc1c(F)cnc(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 7/20 0.35
CCNE2 O96020 7/20 0.35
CDK1 P06493 7/20 0.35
CDK4 P11802 7/20 0.35
CCNB1 P14635 7/20 0.35
CCND1 P24385 7/20 0.35
CCNE1 P24864 7/20 0.35
CDK2 P24941 7/20 0.35
CCND2 P30279 7/20 0.35
CCND3 P30281 7/20 0.35
CCNB3 Q8WWL7 7/20 0.35
CYP2D6 P10635 7/20 0.35
CYP3A4 P08684 4/20 0.35
CYP1A2 P05177 3/20 0.35
CCNT1 O60563 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK7 P50613 1/20 0.34
CDK9 P50750 1/20 0.34
CCNH P51946 1/20 0.34
MNAT1 P51948 1/20 0.34

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
SCHEMBL8473276 0.84 CCNB2 (0.37) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL9043636 0.79 CYP2D6 (0.36) CYP2D6CYP3A4CYP1A2RAB9ASMN1; SMN2
SCHEMBL8297105 0.75 LTA4H (0.38) CYP2D6CYP3A4CYP1A2NPC1RAB9A
SCHEMBL9683149 0.73 LTA4H (0.39) CYP2D6CYP3A4CYP1A2GRIN2DGRIN3B
SCHEMBL1582737 0.72 ALDH1A1 (0.40) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL9047154 0.71 NPC1 (0.35) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL14699864 0.71 LTA4H (0.42) CYP2D6CYP3A4CYP1A2NPC1RAB9A
SCHEMBL10203437 0.70 GRIN2D (0.39) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL10692851 0.70 LTA4H (0.46) CYP2D6CYP3A4CYP1A2RAB9ACYP19A1
SCHEMBL15295256 0.68 L3MBTL1 (0.44) CCNB2CCNE2CDK1CDK4CCNB1

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-0871628-A1 QUINOLIZINONE TYPE COMPOUNDS Abbott Laboratories (US) 1998-10-21 EP disclosed
WO-1996039407-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-12 WO disclosed