SCHEMBL16482720

SCHEMBL16482720

c1ccc(-c2ccc3sc4c([nH]c5ccc6ccccc6c54)c3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 8/20 0.46
▸ CCND1 P24385 8/20 0.46
▸ LIMK1 P53667 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CCNB2 O95067 1/20 0.41
▸ CCNE2 O96020 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ CCNB1 P14635 1/20 0.41
▸ CCNE1 P24864 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CCNB3 Q8WWL7 1/20 0.41
▸ PIM3 Q86V86 2/20 0.40
▸ PIM1 P11309 2/20 0.40
▸ PIM2 Q9P1W9 2/20 0.40
▸ KIF11 P52732 1/20 0.38
▸ TNKS O95271 1/20 0.36
▸ TNKS2 Q9H2K2 1/20 0.36

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
SCHEMBL15003558 0.86 CDK4 (0.43) CDK4CCND1LIMK1MEN1MAPT
SCHEMBL15003543 0.86 CDK4 (0.43) CDK4CCND1LIMK1MEN1MAPT
SCHEMBL15003688 0.84 CDK4 (0.48) CDK4CCND1LIMK1CCNB2CCNE2
SCHEMBL16482692 0.83 RAB9A (0.60) CDK4CCND1MEN1MAPTRAB9A
SCHEMBL16482651 0.82 KIF11 (0.43) CDK4CCND1LIMK1MEN1MAPT
SCHEMBL16482448 0.81 MEN1 (0.66) CDK4CCND1LIMK1MEN1MAPT
SCHEMBL15003696 0.81 CDK4 (0.53) CDK4CCND1LIMK1CCNB2CCNE2
SCHEMBL16482695 0.80 KIF11 (0.49) CDK4CCND1LIMK1MEN1MAPT
SCHEMBL15139135 0.80 CDK4 (0.39) CDK4CCND1LIMK1MEN1MAPT
SCHEMBL16482738 0.80 LIMK1 (0.47) CDK4CCND1LIMK1MEN1MAPT

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
WO-2014058183-A1 COMPOUND FOR ORGANIC ELECTRONIC DEVICE, ORGANIC ELECTRONIC DEVICE USING SAME, AND ELECTRONIC APPARATUS OF SAID ORGANIC ELECTRONIC DEVICE 덕산하이메탈(주) (KR) 2014-04-17 — — WO disclosed
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