SCHEMBL30475432

SCHEMBL30475432

Brc1ccc2c(c1)[nH]c1cccc(Br)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 4/20 0.48
CDK1 P06493 4/20 0.48
CDK4 P11802 4/20 0.48
CCNB1 P14635 4/20 0.48
CCND1 P24385 4/20 0.48
CCNB3 Q8WWL7 4/20 0.48
CCNE2 O96020 3/20 0.48
CCNE1 P24864 3/20 0.48
CDK2 P24941 3/20 0.48
CAMK2B Q13554 2/20 0.48
CAMK2G Q13555 2/20 0.48
CAMK2D Q13557 2/20 0.48
CAMK2A Q9UQM7 2/20 0.48
CDK5 Q00535 2/20 0.48
CDK5R1 Q15078 2/20 0.48
CCNT1 O60563 1/20 0.48
EIF2AK2 P19525 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK9 P50750 1/20 0.48
PIM1 P11309 1/20 0.43

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
SCHEMBL17331160 1.00 CCNB2 (0.48) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL29530429 0.85 GABRP (0.50) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL28474458 0.85 GABRP (0.50) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL24549288 0.85 CDK4 (0.40) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL18758532 0.84 CDK4 (0.44) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL31488058 0.82 CDK4 (0.51) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL420335 0.80 IMPDH2 (0.59) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL29724222 0.80 IMPDH2 (0.59) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL27014689 0.80 NOS1 (0.39) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL31259489 0.79 IMPDH2 (0.57) CCNB2CDK1CDK4CCNB1CCND1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118271184-A Dendritic structural compound, compound thereof and organic electroluminescent device 中国科学院长春应用化学研究所 2024-07-02 CN disclosed
CN-115417773-B Dendritic structural compound, compound thereof and organic electroluminescent device 中国科学院长春应用化学研究所 2024-05-28 CN disclosed
CN-113372261-B Method for preparing 1-bromo/chloro carbazole and derivatives thereof 中国科学院兰州化学物理研究所 2023-06-27 CN disclosed