SCHEMBL29021133

SCHEMBL29021133

Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C2(OC(N)=O)CC2)c1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 3/20 0.33
▸ F2 P00734 2/20 0.33
▸ PRSS1 P07477 2/20 0.33
▸ PRSS2 P07478 2/20 0.33
▸ PRSS3 P35030 2/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ CSF1R P07333 1/20 0.32
▸ CA12 O43570 1/20 0.30
▸ CA3 P07451 1/20 0.30
▸ CA4 P22748 1/20 0.30
▸ CA6 P23280 1/20 0.30
▸ CA5A P35218 1/20 0.30
▸ CA7 P43166 1/20 0.30
▸ CA14 Q9ULX7 1/20 0.30
▸ CA5B Q9Y2D0 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
SCHEMBL28490255 0.81 CA1 (0.44) F11F2PRSS1PRSS2PRSS3
SCHEMBL1534612 0.76 CA1 (0.43) F11F2PRSS1PRSS2PRSS3
SCHEMBL26686043 0.74 HIF1A (0.34) F11F2PRSS1PRSS2PRSS3
SCHEMBL29021138 0.74 NPC1 (0.33) —
SCHEMBL24270178 0.72 CSF1R (0.33) F11HIF1ACSF1R
SCHEMBL12678813 0.72 LPL (0.34) CSF1R
SCHEMBL18186465 0.72 PARP1 (0.40) F11F2PRSS1PRSS2PRSS3
SCHEMBL29548014 0.70 HTR1D (0.33) HIF1ACSF1R
SCHEMBL24270108 0.70 HTR1D (0.33) HIF1ACSF1R
SCHEMBL24270111 0.70 AAK1 (0.39) HIF1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117624130-A 3- [ (1H-pyrazol-4-yl) oxy ] pyrazin-2-amine compounds as HPK1 inhibitors and uses thereof 百济神州有限公司 2024-03-01 — — CN disclosed
CN-117624131-A 3- [ (1H-pyrazol-4-yl) oxy ] pyrazin-2-amine compounds as HPK1 inhibitors and uses thereof 百济神州有限公司 2024-03-01 — — CN disclosed
CN-116323565-A 3- [ (1H-pyrazol-4-yl) oxy ] pyrazin-2-amine compounds as HPK1 inhibitors and uses thereof 百济神州有限公司 2023-06-23 — — CN disclosed
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