Thiophene

Thiophene

SCHEMBL6967122

CC(=O)Oc1ccc2c(c1)CCN(c1nc(Nc3ccc(F)cc3)nc(C)c1C)C2C.c1ccsc1

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
MAPK14 Q16539 1/20 0.33
CCNT1 O60563 2/20 0.32
CCNE1 P24864 2/20 0.32
CDK2 P24941 2/20 0.32
CDK9 P50750 2/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
MARK3 P27448 1/20 0.32
EGFR P00533 2/20 0.32
KDR P35968 2/20 0.32
MEN1 O00255 1/20 0.32
BLM P54132 1/20 0.32
FYN P06241 1/20 0.32
PDGFRB P09619 1/20 0.32
FGFR1 P11362 1/20 0.32
PDGFRA P16234 1/20 0.32
PRKACA P17612 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR4 P22455 1/20 0.32

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
SCHEMBL6965486 0.94 KMT2A (0.37) KMT2AMAPK14CCNT1CCNE1CDK2
Thiophene SCHEMBL6961908 0.94 KMT2A (0.34) KMT2AMAPK14CCNT1CCNE1CDK2
SCHEMBL6966508 0.88 KMT2A (0.37) KMT2AMAPK14CCNE1CDK2TP53
Piperidine SCHEMBL6967323 0.88 KMT2A (0.33) KMT2AMAPK14CCNE1CDK2TP53
SCHEMBL6962957 0.88 KMT2A (0.35) KMT2AMAPK14CCNT1CCNE1CDK2
SCHEMBL6956125 0.86 KMT2A (0.35) KMT2ACCNT1CCNE1CDK2CDK9
SCHEMBL6961412 0.86 SMN1; SMN2 (0.37) KMT2ACCNT1CCNE1CDK2CDK9
SCHEMBL6956604 0.86 KMT2A (0.35) KMT2ATP53MAPTMARK3EGFR
SCHEMBL6958624 0.86 KMT2A (0.35) KMT2AMAPK14CCNT1CCNE1CDK2
Hydrochloric Acid SCHEMBL6968132 0.86 KMT2A (0.32) KMT2AMAPK14MARK3EGFRKDR

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
EP-1015444-B1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP LTD (KR) 2003-05-28 EP disclosed
US-6352993-B1 ANTIULCER AGENTS YUHAN CORPORATION (KR) 2002-03-05 US disclosed