SCHEMBL7228155

SCHEMBL7228155

CCN(C)Cc1ccnc(Nc2ncc(-c3ccccc3)s2)c1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.62
CHEK1 O14757 1/20 0.50
ABL1 P00519 1/20 0.49
LCK P06239 1/20 0.49
CSF1R P07333 1/20 0.49
PDGFRB P09619 1/20 0.49
MAP2K2 P36507 1/20 0.49
CDK7 P50613 1/20 0.49

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
SCHEMBL7227876 0.91 KDR (0.56) KDRCHEK1ABL1LCKCSF1R
SCHEMBL7234816 0.90 KDR (0.66) KDRCHEK1ABL1LCKCSF1R
SCHEMBL7227731 0.89 KDR (0.60) KDRCHEK1ABL1LCKCSF1R
SCHEMBL7236876 0.88 KDR (0.58) KDRCHEK1ABL1LCKCSF1R
SCHEMBL7245889 0.87 KDR (0.57) KDRCHEK1ABL1LCKCSF1R
SCHEMBL7228365 0.87 KDR (0.60) KDRCHEK1ABL1LCKCSF1R
SCHEMBL7237730 0.86 KDR (0.56) KDRCHEK1ABL1LCKCSF1R
SCHEMBL7235020 0.85 KDR (0.54) KDRCHEK1ABL1LCKCSF1R
SCHEMBL7228482 0.84 KDR (0.58) KDRCHEK1ABL1LCKCSF1R
SCHEMBL7237453 0.83 KDR (0.61) KDRCHEK1ABL1LCKCSF1R

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-6586424-B2 Anticancer agents; anticholesterol agents MERCK & CO., INC. 2003-07-01 US disclosed
US-6586423-B2 2-(Pyridin-2-ylamino)-thiazole-5-carbonitrile derivatives; angiogenesis inhibitors; antitumor and anticarcinogenic agents; atherosclerosis, macular degeneration, diabetic retinopathy MERCK & CO., INC. 2003-07-01 US disclosed