SCHEMBL8089650

SCHEMBL8089650

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.47
CDK9 P50750 2/20 0.47
EGFR P00533 6/20 0.44
CHUK O15111 1/20 0.41
INSR P06213 1/20 0.41
MAPK8 P45983 1/20 0.41
CAMKK2 Q96RR4 1/20 0.41
PIM1 P11309 1/20 0.40
CSF1R P07333 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 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
SCHEMBL8088077 0.85 CCNT1 (0.47) CCNT1CDK9EGFRCHUKINSR
SCHEMBL7498032 0.84 EGFR (0.59) EGFRCHUKINSRMAPK8CAMKK2
SCHEMBL4903666 0.81 EGFR (0.57) EGFRCSF1R
SCHEMBL7498302 0.78 CSF1R (0.59) EGFRCHUKCSF1R
SCHEMBL2459279 0.75 EGFR (0.56) EGFR
SCHEMBL333831 0.70 CA12 (0.46) PIM1
SCHEMBL7495538 0.68 EGFR (0.56) CCNT1CDK9EGFRCHUKINSR
SCHEMBL16546225 0.68 EGFR (0.57) EGFRCSF1R
SCHEMBL1897594 0.67 EGFR (0.55) EGFRCSF1R
SCHEMBL5406265 0.67 MAP3K14 (0.50)

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
US-6096749-A ANTITUMOR, EPIDERMAL GROWTH FACTOR NOVARTIS CORPORATION (US) 2000-08-01 US disclosed
EP-0682027-A1 Pyrrolopyrimidine derivatives with antiproliferative action CIBA-GEIGY AG (CH) 1995-11-15 EP disclosed