SCHEMBL7654316

SCHEMBL7654316

COc1ccc(-c2ccc3c(c2)NC(=O)C3)c(OC)c1.NCCN1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 2/20 0.49
TSHR P16473 1/20 0.42
MPO P05164 1/20 0.42
DRD2 P14416 2/20 0.41
MAOA P21397 5/20 0.41
MAOB P27338 5/20 0.41
CRBN Q96SW2 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40

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
SCHEMBL4479338 0.85 TDP2 (0.64) TDP2CRBNTUBB4ATUBBTUBA3C
SCHEMBL7671980 0.77 CRBN (0.55) MAOAMAOBCRBNBRD4CREBBP
SCHEMBL10711490 0.77 TDP2 (0.75) TDP2MAOAMAOBCRBNTUBB4A
SCHEMBL7649577 0.73 CRBN (0.45) TDP2MAOAMAOBCRBNBRD4
SCHEMBL4019289 0.72 EIF2AK2 (0.63) TDP2MAOAMAOBCRBNBRD4
SCHEMBL4406924 0.72 CHEK1 (0.58) TDP2CRBNBRD4CREBBPEIF2AK2
SCHEMBL6078702 0.71 S1PR1 (0.53) TDP2DRD2MAOAMAOBCRBN
SCHEMBL153506 0.71 EIF2AK2 (0.74) TDP2MAOAMAOBCRBNEIF2AK2
SCHEMBL4406856 0.68 CRBN (0.57) TDP2CRBNBRD4CREBBPEIF2AK2
SCHEMBL1897771 0.68 TDP2 (0.75) TDP2MAOAMAOBBRD4CREBBP

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-1255752-A2 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2002-11-13 EP disclosed
WO-2001060814-A2 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 2001-08-23 WO disclosed