SCHEMBL8088077

SCHEMBL8088077

COc1ccc(OC)c(-c2cc3c(Cl)ncnc3[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 3/20 0.47
CDK9 P50750 3/20 0.47
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
AURKA O14965 1/20 0.45
EGFR P00533 3/20 0.42
PIM1 P11309 1/20 0.40
CSF1R P07333 1/20 0.39
CHUK O15111 1/20 0.39
INSR P06213 1/20 0.39
MAPK8 P45983 1/20 0.39
CAMKK2 Q96RR4 1/20 0.39
SRC P12931 1/20 0.39
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
GSK3A P49840 1/20 0.39

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
SCHEMBL8089650 0.85 CCNT1 (0.47) CCNT1CDK9EGFRPIM1CSF1R
SCHEMBL7495538 0.84 EGFR (0.56) CCNT1CDK9ALDH1A1HPGDKDM4E
SCHEMBL4899896 0.81 EGFR (0.57) ALDH1A1LMNAHPGDKDM4EPOLB
SCHEMBL2459279 0.79 EGFR (0.56) ALDH1A1LMNAHPGDKDM4EEGFR
SCHEMBL7495582 0.78 CSF1R (0.59) CSF1RCHUKCCNB2CDK1CCNB1
SCHEMBL333831 0.70 CA12 (0.46) ALDH1A1HPGDKDM4EPIM1
SCHEMBL7218007 0.69 AURKA (0.65) ALDH1A1LMNAHPGDKDM4EPOLB
SCHEMBL14098811 0.69 AURKA (0.65) CCNT1CDK9ALDH1A1LMNAHPGD
SCHEMBL7498032 0.68 EGFR (0.59) ALDH1A1HPGDKDM4EEGFRCHUK
SCHEMBL10685704 0.68 PDE2A (0.50) ALDH1A1LMNAHPGDKDM4EPOLB

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
US-6096749-A ANTITUMOR, EPIDERMAL GROWTH FACTOR NOVARTIS CORPORATION (US) 2000-08-01 US disclosed