SCHEMBL17320236

SCHEMBL17320236

Cc1nc(C(C)C)c2[nH]ccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42
TUBB2B Q9BVA1 1/20 0.42
TUBB1 Q9H4B7 1/20 0.42
CD38 P28907 1/20 0.33
DYRK1A Q13627 1/20 0.32
PIP4K2C Q8TBX8 1/20 0.32
CXCR2 P25025 1/20 0.30

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
SCHEMBL25549142 0.81 TYK2 (0.36) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL13780007 0.76 KDR (0.46) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL18711719 0.75 KDR (0.45) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL12736491 0.74 KDR (0.43) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL24175031 0.73 NPY5R (0.46) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL19661012 0.73 KDR (0.44) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10256125 0.73 DYRK1A (0.50) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14747699 0.72 DYRK1A (0.53) DYRK1APIP4K2C
SCHEMBL7775225 0.70 ADORA2A (0.40) DYRK1A
SCHEMBL15500305 0.70 KDR (0.42) KDRTUBB4ATUBBTUBA3CTUBA1B

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
WO-2022002118-A1 FUSED-RING HETEROCYCLE DERIVATIVE AND MEDICAL USE THEREOF 四川海思科制药有限公司 2022-01-06 WO disclosed
EP-1960372-B1 KINASE INHIBITORS AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2015-12-09 EP disclosed