Sugi Predict

Sugi Predict / Compounds / Pyrrolidine

Pyrrolidine

Pyrrolidine

SCHEMBL5818917

C1CCNC1.CN1CCN(c2ccc3[nH]c(-c4n[nH]c5ncc(-c6cncc(CN7CCCC7)c6)cc45)nc3c2)CC1

nearest known ligand 0.64

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Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 7/20 0.64
▸ WNT1 P04628 4/20 0.55
▸ TGFBR1 P36897 1/20 0.51
▸ CLK2 P49760 9/20 0.51
▸ CLK3 P49761 9/20 0.51
▸ DYRK1A Q13627 9/20 0.51
▸ ERBB2 P04626 1/20 0.51
▸ CDK1 P06493 1/20 0.51
▸ KDR P35968 1/20 0.51

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
SCHEMBL4038916 0.96 RET (0.68) RETWNT1TGFBR1CLK2CLK3
Morpholine SCHEMBL5822996 0.91 RET (0.58) RETWNT1TGFBR1CLK2CLK3
SCHEMBL4042953 0.90 RET (0.62) RETWNT1TGFBR1CLK2CLK3
SCHEMBL4038126 0.86 RET (0.69) RETWNT1CLK2CLK3DYRK1A
SCHEMBL4036833 0.85 RET (0.70) RETWNT1TGFBR1CLK2CLK3
SCHEMBL4042919 0.85 RET (0.59) RETWNT1TGFBR1CLK2CLK3
SCHEMBL4033966 0.84 RET (0.70) RETWNT1CLK2CLK3DYRK1A
Dimethylamine SCHEMBL5823364 0.84 RET (0.59) RETWNT1TGFBR1CLK2CLK3
Isopropylamine SCHEMBL5823529 0.83 RET (0.68) RETWNT1TGFBR1CLK2CLK3
SCHEMBL4039916 0.83 RET (0.54) RETWNT1CLK2CLK3DYRK1A

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
WO-2006130673-A1 3-BENZOIMIDAZOLYL-PYRAZOLOPYRIDINES USEFUL IN TREATING KINASE DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-07 — — WO disclosed