SCHEMBL31053045

SCHEMBL31053045

COc1ccc(-c2ccc3c(c2)N(c2nc(C)nc4ccccc24)CC3)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 13/20 0.66
TUBB P07437 13/20 0.66
TUBA3C P0DPH7 13/20 0.66
TUBA1B P68363 13/20 0.66
TUBA4A P68366 13/20 0.66
TUBB4B P68371 13/20 0.66
TUBB3 Q13509 13/20 0.66
TUBB2A Q13885 13/20 0.66
TUBB8 Q3ZCM7 13/20 0.66
TUBA3E Q6PEY2 13/20 0.66
TUBA1A Q71U36 13/20 0.66
TUBA1C Q9BQE3 13/20 0.66
TUBB6 Q9BUF5 13/20 0.66
TUBB2B Q9BVA1 13/20 0.66
TUBB1 Q9H4B7 13/20 0.66
EGFR P00533 6/20 0.66
PDGFRB P09619 5/20 0.66
KDR P35968 5/20 0.66
HRH4 Q9H3N8 1/20 0.44
CYP1A1 P04798 1/20 0.44

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
SCHEMBL31053027 0.89 TUBB4A (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31053033 0.88 TUBB4A (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31053040 0.87 TUBB4A (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31053042 0.85 TUBB4A (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16622677 0.84 TUBB4A (0.89) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31053036 0.82 TUBB4A (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31053032 0.80 TUBB4A (0.70) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31053039 0.79 TUBB4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16622703 0.79 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31053030 0.79 TUBB4A (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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
CN-118561818-A Diaryl substituted 2, 3-indoline compound or medicinal salt thereof, preparation method and application thereof 河南大学 2024-08-30 CN disclosed