SCHEMBL6561973

SCHEMBL6561973

Cc1cc(C#CCNc2ccc(C(=N)NC(=O)OC(C)(C)C)cc2)ccc1C(=O)N1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 5/20 0.38
ACACB O00763 3/20 0.38
JAK2 O60674 3/20 0.38
PIK3CA P42336 2/20 0.37
MTOR P42345 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
PTPN11 Q06124 1/20 0.36
KMT2A Q03164 1/20 0.35
WDR5 P61964 1/20 0.35
HPGD P15428 1/20 0.35
PABPC1 P11940 1/20 0.35

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
SCHEMBL6565533 0.93 ACACB (0.45) JAK1ACACBJAK2PTPN11KMT2A
SCHEMBL6565215 0.88 PIK3CA (0.38) JAK1ACACBPIK3CAMTORCD274
SCHEMBL6565221 0.86 SMN1; SMN2 (0.41) SMN1; SMN2CD274KMT2AHPGD
SCHEMBL6563299 0.85 NAMPT (0.40) ACACB
SCHEMBL6561810 0.85 HSD11B1 (0.40) ACACBJAK2PTPN11
SCHEMBL6565339 0.84 HPGD (0.39) ACACBPIK3CAMTORPTPN11KMT2A
SCHEMBL6565417 0.84 PTPN11 (0.36) ACACBPTPN11HPGD
SCHEMBL6561944 0.83 F10 (0.43) ACACBPIK3CAMTORSMN1; SMN2KMT2A
SCHEMBL6563328 0.83 ACACB (0.36) JAK1ACACBPTPN11KMT2A
SCHEMBL7674981 0.82 ABL1 (0.43) ACACBSMN1; SMN2PTPN11KMT2AHPGD

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-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed