SCHEMBL20712204

SCHEMBL20712204

Clc1ccc2[nH]c3[nH]c4cc(Br)ccc4c3c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 4/20 0.43
▸ CCND1 P24385 4/20 0.43
▸ CCNE2 O96020 3/20 0.43
▸ CCNE1 P24864 3/20 0.43
▸ CDK2 P24941 3/20 0.43
▸ CCNB2 O95067 2/20 0.43
▸ CDK1 P06493 2/20 0.43
▸ CCNB1 P14635 2/20 0.43
▸ CCNB3 Q8WWL7 2/20 0.43
▸ CAMK2B Q13554 2/20 0.43
▸ CAMK2G Q13555 2/20 0.43
▸ CAMK2D Q13557 2/20 0.43
▸ CAMK2A Q9UQM7 2/20 0.43
▸ CCNT1 O60563 1/20 0.43
▸ EIF2AK2 P19525 1/20 0.43
▸ CCNA2 P20248 1/20 0.43
▸ CDK9 P50750 1/20 0.43
▸ CDK5 Q00535 1/20 0.43
▸ CDK5R1 Q15078 1/20 0.43
▸ CHUK O15111 2/20 0.41

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
SCHEMBL18212083 0.83 CHUK (0.53) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL24425573 0.80 GABRP (0.49) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL20712203 0.80 CCNB2 (0.59) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL15599700 0.77 CHUK (0.53) CAMK2ACDK9CDK5CHUKERBB2
SCHEMBL29923100 0.77 CHUK (0.53) CAMK2ACDK9CDK5CHUKERBB2
SCHEMBL24425669 0.76 CCNE2 (0.60) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL18203478 0.76 CHUK (0.53) CHUKPARP1LMNAGUSBHPGD
SCHEMBL20705969 0.73 CDK4 (0.37) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL20705970 0.73 AHR (0.42) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL17747410 0.72 AHR (0.46) CDK4CCND1CCNE2CCNE1CDK2

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-2019027163-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE USING SAME 덕산네오룩스 주식회사 2019-02-07 — — WO disclosed
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