SCHEMBL4014735

SCHEMBL4014735

COc1cccc(C(=O)c2c[nH]c3ncc(-c4ccsc4)cc23)c1F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 3/20 0.64
AAK1 Q2M2I8 3/20 0.53
PAK1 Q13153 1/20 0.50
TUBB4A P04350 2/20 0.48
TUBB P07437 2/20 0.48
TUBA3C P0DPH7 2/20 0.48
TUBA1B P68363 2/20 0.48
TUBA4A P68366 2/20 0.48
TUBB4B P68371 2/20 0.48
TUBB3 Q13509 2/20 0.48
TUBB2A Q13885 2/20 0.48
TUBB8 Q3ZCM7 2/20 0.48
TUBA3E Q6PEY2 2/20 0.48
TUBA1A Q71U36 2/20 0.48
TUBA1C Q9BQE3 2/20 0.48
TUBB6 Q9BUF5 2/20 0.48
TUBB2B Q9BVA1 2/20 0.48
TUBB1 Q9H4B7 2/20 0.48
CYP2C9 P11712 2/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL414815 0.88 AXL (0.64) AXLAAK1PAK1CYP2C9CYP2D6
SCHEMBL411163 0.87 AAK1 (0.56) AXLAAK1PAK1CYP2C9CYP2D6
SCHEMBL855582 0.86 AAK1 (0.57) AXLAAK1PAK1CYP2C9CYP2D6
SCHEMBL4014801 0.86 AXL (0.60) AXLAAK1PAK1CYP2C9CYP2D6
SCHEMBL857781 0.86 AAK1 (0.50) AXLAAK1PAK1TUBB4ATUBB
SCHEMBL855729 0.85 AAK1 (0.56) AXLAAK1PAK1CYP2C9CYP2D6
SCHEMBL412694 0.85 AAK1 (0.56) AXLAAK1PAK1CYP2C9CYP2D6
SCHEMBL409659 0.85 AAK1 (0.56) AXLAAK1PAK1CYP2C9CYP2D6
SCHEMBL412193 0.85 KIT (0.55) AXLAAK1PAK1CYP2C9CYP2D6
SCHEMBL414875 0.84 AAK1 (0.55) AXLAAK1PAK1CYP2C9CYP2D6

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-7504509-B2 Compounds and methods for development of Ret modulators PLEXXIKON, INC. (US) 2009-03-17 US claimed