SCHEMBL10265576

SCHEMBL10265576

Cc1ccc(N2CCN(c3nc4c(c(NC5CCOCC5)n3)[S+]([O-])CC4)CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EML4 Q9HC35 2/20 0.36
▸ ALK Q9UM73 2/20 0.36
▸ LMNA P02545 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ RET P07949 2/20 0.35
▸ ROS1 P08922 2/20 0.35
▸ FLT3 P36888 2/20 0.35
▸ PDE4D Q08499 2/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ AKR1C3 P42330 1/20 0.35
▸ EHMT2 Q96KQ7 6/20 0.35
▸ EHMT1 Q9H9B1 5/20 0.35
▸ AOC3 Q16853 1/20 0.35
▸ DNMT3A Q9Y6K1 2/20 0.34
▸ TNF P01375 1/20 0.33

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
SCHEMBL589081 0.90 MAPT (0.38) EML4ALKRETROS1FLT3
SCHEMBL10283434 0.90 PDE4D (0.35) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL194991 0.89 PDE4D (0.35) EML4ALKRETROS1FLT3
SCHEMBL12879550 0.89 ACACB (0.33) EML4ALKRETROS1FLT3
SCHEMBL12879569 0.89 PDE4D (0.33) EML4ALKRETROS1FLT3
SCHEMBL12921314 0.87 PDE4D (0.36) PDE4DEHMT2EHMT1TNF
SCHEMBL12872258 0.87 SMN1; SMN2 (0.36) EML4ALKLMNASMN1; SMN2RET
SCHEMBL12879584 0.87 IRAK4 (0.33) PDE4DALOX5EPHX2EHMT2EHMT1
SCHEMBL12921374 0.86 PDE4D (0.34) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12887076 0.86 AKR1C3 (0.38) EML4ALKRETROS1FLT3

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-8114878-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-14 — — US disclosed
Send feedback