Sugi Predict

Sugi Predict / Compounds / SCHEMBL7704050

SCHEMBL7704050

SCHEMBL7704050

CCN(CC)CCN(CCN(CC)CC)C(=O)Nc1ccc(-c2n[nH]c3c2Cc2ccccc2-3)cc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 15/20 0.52
▸ KDR P35968 3/20 0.51
▸ CDK1 P06493 1/20 0.48
▸ CDK2 P24941 1/20 0.48
▸ NPC1 O15118 1/20 0.42

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
SCHEMBL7091235 0.89 CHEK1 (0.52) CHEK1KDRCDK1CDK2NPC1
SCHEMBL7001943 0.87 CHEK1 (0.52) CHEK1KDRCDK1CDK2NPC1
SCHEMBL7698455 0.86 CHEK1 (0.56) CHEK1KDRCDK1CDK2NPC1
SCHEMBL7696882 0.86 CHEK1 (0.51) CHEK1KDRCDK1CDK2NPC1
SCHEMBL7093375 0.85 CHEK1 (0.50) CHEK1KDRCDK1CDK2NPC1
SCHEMBL7701206 0.84 CHEK1 (0.49) CHEK1KDRCDK1CDK2NPC1
SCHEMBL7696838 0.84 CHEK1 (0.48) CHEK1KDRCDK1CDK2NPC1
SCHEMBL7701942 0.83 CHEK1 (0.54) CHEK1KDRCDK1CDK2NPC1
SCHEMBL7698804 0.83 CHEK1 (0.54) CHEK1KDRCDK1CDK2NPC1
SCHEMBL7095260 0.82 CHEK1 (0.58) CHEK1KDRCDK1CDK2NPC1

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-6462036-B1 INHIBITING SIGNAL TRANSDUCTION BY MODULATING ACTIVITY OF RECEPTOR AND NONRECEPTOR TYROSINE AND SERINE/THREONINE KINASES TO REGULATE AND MODULATE ABNORMAL OR INAPPROPRIATE CELL PROLIFERATION, DIFFERENTIATION, OR METABOLISM BASF AKTIENGESELLSCHAFT (DE) 2002-10-08 — — US disclosed