SCHEMBL23905238

SCHEMBL23905238

COc1ncc2cc(C)cc(OC)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 2/20 0.43
ACHE P22303 2/20 0.41
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39
TYK2 P29597 2/20 0.39
KDR P35968 2/20 0.39
JAK3 P52333 2/20 0.39
AURKB Q96GD4 2/20 0.39
DAPK3 O43293 1/20 0.39
PLK1 P53350 1/20 0.39
PLK3 Q9H4B4 1/20 0.39
PLK2 Q9NYY3 1/20 0.39
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37

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
SCHEMBL25116033 0.81 NQO2 (0.45) HASPINJAK2JAK1TYK2KDR
SCHEMBL12725625 0.81 ALDH1A1 (0.53) ACHEJAK2JAK1TYK2KDR
SCHEMBL23905531 0.76 CA12 (0.49) HASPINJAK2JAK1TYK2KDR
SCHEMBL23904743 0.76 CCR1 (0.52) ACHEALDH1A1CRHR1KDM4ECCR1
SCHEMBL14595283 0.75 EGFR (0.41) ACHEJAK2JAK1TYK2KDR
SCHEMBL23958814 0.70 ALDH1A1 (0.46) ACHEALDH1A1CRHR1SMN1; SMN2CCR1
SCHEMBL13252142 0.70 JAK1 (0.47) JAK2JAK1TYK2JAK3
SCHEMBL16891451 0.69 CYP1A2 (0.46) HASPINACHEALDH1A1KDM4EPDGFRB
SCHEMBL12775447 0.69 CYP1A2 (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13301167 0.68 PSMD14 (0.59) ALDH1A1KDM4ESMN1; SMN2CCR1CCR5

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-2021198981-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2021-10-07 WO disclosed